CID 453291

132687-00-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CCN1C2=C(C=C(C(=C2)C)C)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C17H19N3O/c1-5-20-15-10-12(3)11(2)9-14(15)19(4)17(21)13-7-6-8-18-16(13)20/h6-10H,5H2,1-4H3
InChIKey
QVBCGVSBAZFFCX-UHFFFAOYSA-N
Compound name
11-ethyl-6,8,9-trimethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
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 166.7
[M+Na]+ 304.14202 177.3
[M-H]- 280.14552 170.3
[M+NH4]+ 299.18662 181.1
[M+K]+ 320.11596 176.1
[M+H-H2O]+ 264.15006 158.2
[M+HCOO]- 326.15100 182.8
[M+CH3COO]- 340.16665 177.8
[M+Na-2H]- 302.12747 171.2
[M]+ 281.15225 167.0
[M]- 281.15335 167.0
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