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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.