CID 453250

16287-50-6

Structural Information

Molecular Formula
C15H15N3O2
SMILES
COCCN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C15H15N3O2/c1-20-10-9-18-13-7-3-2-6-12(13)17-14-11(15(18)19)5-4-8-16-14/h2-8H,9-10H2,1H3,(H,16,17)
InChIKey
PHPMRMWXFMBHBP-UHFFFAOYSA-N
Compound name
6-(2-methoxyethyl)-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 160.6
[M+Na]+ 292.10564 169.0
[M-H]- 268.10914 162.2
[M+NH4]+ 287.15024 173.9
[M+K]+ 308.07958 167.8
[M+H-H2O]+ 252.11368 151.9
[M+HCOO]- 314.11462 176.3
[M+CH3COO]- 328.13027 170.9
[M+Na-2H]- 290.09109 168.0
[M]+ 269.11587 158.8
[M]- 269.11697 158.8
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.