Hydroxyapixaban (m7) (C25H25N5O5)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCC(CC5=O)O)C(=N2)C(=O)N

InChI

InChI=1S/C25H25N5O5/c1-35-19-8-6-17(7-9-19)30-23-20(22(27-30)24(26)33)11-13-29(25(23)34)16-4-2-15(3-5-16)28-12-10-18(31)14-21(28)32/h2-9,18,31H,10-14H2,1H3,(H2,26,33)

InChIKey

FVUAHXZIDHJDGX-UHFFFAOYSA-N

Compound name

6-[4-(4-hydroxy-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	476.192856	215.0
[M+Na]+	498.174798	220.2
[M-H]-	474.178304	221.7
[M+NH4]+	493.219403	217.8
[M+K]+	514.148738	214.0
[M+H-H2O]+	458.182840	202.4
[M+HCOO]-	520.183781	224.8
[M+CH3COO]-	534.199431	220.4
[M+Na-2H]-	496.160246	210.2
[M]+	475.18503142	211.1
[M]-	475.18612858	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.192856

215.0

[M+Na]+

498.174798

220.2

[M-H]-

474.178304

221.7

[M+NH4]+

493.219403

217.8

[M+K]+

514.148738

214.0

[M+H-H2O]+

458.182840

202.4

[M+HCOO]-

520.183781

224.8

[M+CH3COO]-

534.199431

220.4

[M+Na-2H]-

496.160246

210.2

[M]+

475.18503142

211.1

[M]-

475.18612858

211.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hydroxyapixaban (m7)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe