CID 129505

Rispenzepine

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CN1CCCC(C1)C(=O)N2C3=CC=CC=C3NC(=O)C4=C2N=CC=C4
InChI
InChI=1S/C19H20N4O2/c1-22-11-5-6-13(12-22)19(25)23-16-9-3-2-8-15(16)21-18(24)14-7-4-10-20-17(14)23/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,24)
InChIKey
LPLNSPKKMWHFAU-UHFFFAOYSA-N
Compound name
11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

637
Patents

336.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 182.0
[M+Na]+ 359.14785 193.5
[M+NH4]+ 354.19245 187.7
[M+K]+ 375.12179 188.0
[M-H]- 335.15135 183.7
[M+Na-2H]- 357.13330 186.2
[M]+ 336.15808 184.0
[M]- 336.15918 184.0
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

patents stripe