PubChemLite - 132961-05-8 (C23H28F2N4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)/C(=N/O)/C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H28F2N4O2/c1-15-18(23(30)29-10-3-2-4-21(29)26-15)9-13-28-11-7-16(8-12-28)22(27-31)19-6-5-17(24)14-20(19)25/h5-6,14,16,31H,2-4,7-13H2,1H3/b27-22-

InChIKey

BRCINVRBDDVLDW-QYQHSDTDSA-N

Compound name

3-[2-[4-[(Z)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

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]+	431.22530	207.3
[M+Na]+	453.20724	212.1
[M-H]-	429.21074	209.7
[M+NH4]+	448.25184	212.9
[M+K]+	469.18118	204.6
[M+H-H2O]+	413.21528	192.7
[M+HCOO]-	475.21622	216.5
[M+CH3COO]-	489.23187	212.6
[M+Na-2H]-	451.19269	204.7
[M]+	430.21747	200.1
[M]-	430.21857	200.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.22530

207.3

[M+Na]+

453.20724

212.1

[M-H]-

429.21074

209.7

[M+NH4]+

448.25184

212.9

[M+K]+

469.18118

204.6

[M+H-H2O]+

413.21528

192.7

[M+HCOO]-

475.21622

216.5

[M+CH3COO]-

489.23187

212.6

[M+Na-2H]-

451.19269

204.7

[M]+

430.21747

200.1

[M]-

430.21857

200.1

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

132961-05-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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