CID 293595

Nsc160262

Structural Information

Molecular Formula
C15H13N3O2
SMILES
COC(=O)NC1=NC2=CC=CC=C2C3=CC=CC=C3N1
InChI
InChI=1S/C15H13N3O2/c1-20-15(19)18-14-16-12-8-4-2-6-10(12)11-7-3-5-9-13(11)17-14/h2-9H,1H3,(H2,16,17,18,19)
InChIKey
IWCGIQVUYFFBCO-UHFFFAOYSA-N
Compound name
methyl N-(7H-benzo[d][1,3]benzodiazepin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 158.7
[M+Na]+ 290.08999 166.2
[M-H]- 266.09349 162.0
[M+NH4]+ 285.13459 173.1
[M+K]+ 306.06393 166.1
[M+H-H2O]+ 250.09803 151.3
[M+HCOO]- 312.09897 177.2
[M+CH3COO]- 326.11462 169.4
[M+Na-2H]- 288.07544 167.3
[M]+ 267.10022 156.1
[M]- 267.10132 156.1
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.