CID 24842855

Piperidinium, 1-(2-(5,6-dihydro-6-oxo-11h-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-1-methyl-, iodide

Structural Information

Molecular Formula
C20H23N4O2
SMILES
C[N+]1(CCCCC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C20H22N4O2/c1-24(12-5-2-6-13-24)14-18(25)23-17-10-4-3-8-15(17)20(26)22-16-9-7-11-21-19(16)23/h3-4,7-11H,2,5-6,12-14H2,1H3/p+1
InChIKey
AUJQUNIBHRUAOF-UHFFFAOYSA-O
Compound name
11-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1821 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18938 187.5
[M+Na]+ 374.17132 192.9
[M-H]- 350.17482 189.8
[M+NH4]+ 369.21592 197.0
[M+K]+ 390.14526 184.4
[M+H-H2O]+ 334.17936 177.8
[M+HCOO]- 396.18030 195.9
[M+CH3COO]- 410.19595 204.6
[M+Na-2H]- 372.15677 193.3
[M]+ 351.18155 178.4
[M]- 351.18265 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.