CID 453303

133626-92-3

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
CCN1C2=C(C=C(C=C2)Cl)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C15H14ClN3O/c1-3-19-12-7-6-10(16)9-13(12)18(2)15(20)11-5-4-8-17-14(11)19/h4-9H,3H2,1-2H3
InChIKey
FQLNOSMPZRXCRO-UHFFFAOYSA-N
Compound name
8-chloro-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.08255 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 162.8
[M+Na]+ 310.07177 174.9
[M-H]- 286.07527 165.9
[M+NH4]+ 305.11637 177.7
[M+K]+ 326.04571 172.6
[M+H-H2O]+ 270.07981 154.1
[M+HCOO]- 332.08075 175.4
[M+CH3COO]- 346.09640 174.2
[M+Na-2H]- 308.05722 168.7
[M]+ 287.08200 163.9
[M]- 287.08310 163.9
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

No patent data available for this compound.