CID 65846

Nuvenzepine

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CN1CCC(CC1)C(=O)N2C3=CC=CC=C3NC(=O)C4=C2N=CC=C4
InChI
InChI=1S/C19H20N4O2/c1-22-11-8-13(9-12-22)19(25)23-16-7-3-2-6-15(16)21-18(24)14-5-4-10-20-17(14)23/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24)
InChIKey
HPKYRXAEGNUARA-UHFFFAOYSA-N
Compound name
11-(1-methylpiperidine-4-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

142
Patents

336.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.165906 182.2
[M+Na]+ 359.147848 188.3
[M-H]- 335.151354 184.6
[M+NH4]+ 354.192453 190.8
[M+K]+ 375.121788 185.7
[M+H-H2O]+ 319.155890 170.8
[M+HCOO]- 381.156831 191.5
[M+CH3COO]- 395.172481 189.4
[M+Na-2H]- 357.133296 184.8
[M]+ 336.15808142 174.6
[M]- 336.15917858 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