CID 453354

132932-26-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CCN1C2=C(N=CC=C2)N(C3=C(C=CC=C3C1=O)C)CC
InChI
InChI=1S/C17H19N3O/c1-4-19-14-10-7-11-18-16(14)20(5-2)15-12(3)8-6-9-13(15)17(19)21/h6-11H,4-5H2,1-3H3
InChIKey
IQKVTEOEVNQTDY-UHFFFAOYSA-N
Compound name
5,11-diethyl-10-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

281.1528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.5
[M+Na]+ 304.14202 176.3
[M-H]- 280.14552 169.8
[M+NH4]+ 299.18662 180.6
[M+K]+ 320.11596 174.9
[M+H-H2O]+ 264.15006 157.8
[M+HCOO]- 326.15100 182.7
[M+CH3COO]- 340.16665 177.3
[M+Na-2H]- 302.12747 171.7
[M]+ 281.15225 166.4
[M]- 281.15335 166.4
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