CID 453249

6-(2-hydroxyethyl)-11h-pyrido[3,2-c][1,5]benzodiazepin-5-one

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1=CC=C2C(=C1)NC3=C(C=CC=N3)C(=O)N2CCO
InChI
InChI=1S/C14H13N3O2/c18-9-8-17-12-6-2-1-5-11(12)16-13-10(14(17)19)4-3-7-15-13/h1-7,18H,8-9H2,(H,15,16)
InChIKey
ZVSYBTYRGCJKDB-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.9
[M+Na]+ 278.08999 165.3
[M-H]- 254.09349 157.4
[M+NH4]+ 273.13459 170.1
[M+K]+ 294.06393 163.6
[M+H-H2O]+ 238.09803 148.7
[M+HCOO]- 300.09897 171.5
[M+CH3COO]- 314.11462 167.0
[M+Na-2H]- 276.07544 164.3
[M]+ 255.10022 153.1
[M]- 255.10132 153.1
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.