CID 453257

132686-79-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CCCCN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C17H19N3O/c1-3-4-12-20-15-10-6-5-9-14(15)19(2)17(21)13-8-7-11-18-16(13)20/h5-11H,3-4,12H2,1-2H3
InChIKey
AVXBKVJHVBCJBB-UHFFFAOYSA-N
Compound name
11-butyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

281.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.2
[M+Na]+ 304.14202 175.2
[M-H]- 280.14552 169.1
[M+NH4]+ 299.18662 180.0
[M+K]+ 320.11596 173.6
[M+H-H2O]+ 264.15006 157.2
[M+HCOO]- 326.15100 182.4
[M+CH3COO]- 340.16665 176.7
[M+Na-2H]- 302.12747 172.1
[M]+ 281.15225 165.7
[M]- 281.15335 165.7
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