PubChemLite - Chembl210234 (C24H24FN5O4)

Structural Information

Molecular Formula

SMILES

CN(C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F)C(=O)C(=O)N4CCCCC4

InChI

InChI=1S/C24H24FN5O4/c1-29(23(33)24(34)30-12-3-2-4-13-30)21-17-6-5-11-26-18(17)20(31)19(28-21)22(32)27-14-15-7-9-16(25)10-8-15/h5-11,31H,2-4,12-14H2,1H3,(H,27,32)

InChIKey

KTUFVWDQHQCUNQ-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[methyl-(2-oxo-2-piperidin-1-ylacetyl)amino]-1,6-naphthyridine-7-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]+	466.18852	208.6
[M+Na]+	488.17046	211.2
[M-H]-	464.17396	212.8
[M+NH4]+	483.21506	211.7
[M+K]+	504.14440	206.9
[M+H-H2O]+	448.17850	195.2
[M+HCOO]-	510.17944	220.3
[M+CH3COO]-	524.19509	239.7
[M+Na-2H]-	486.15591	208.4
[M]+	465.18069	204.5
[M]-	465.18179	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.18852

208.6

[M+Na]+

488.17046

211.2

[M-H]-

464.17396

212.8

[M+NH4]+

483.21506

211.7

[M+K]+

504.14440

206.9

[M+H-H2O]+

448.17850

195.2

[M+HCOO]-

510.17944

220.3

[M+CH3COO]-

524.19509

239.7

[M+Na-2H]-

486.15591

208.4

[M]+

465.18069

204.5

[M]-

465.18179

204.5

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

Chembl210234

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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