CID 129505

11-(n-methylnipecotyl)-6,11-dihydro-5h-pyrido(2,3-b)-1,5-benzodiazepin-5-one

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

3
References

651
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 182.2
[M+Na]+ 359.14785 188.3
[M-H]- 335.15135 184.6
[M+NH4]+ 354.19245 190.8
[M+K]+ 375.12179 185.7
[M+H-H2O]+ 319.15589 170.8
[M+HCOO]- 381.15683 191.5
[M+CH3COO]- 395.17248 189.4
[M+Na-2H]- 357.13330 184.8
[M]+ 336.15808 174.6
[M]- 336.15918 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe