CID 318736

Nsc257826

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC(=NC2=CC=CC=C2N1)C
InChI
InChI=1S/C11H12N2/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8/h3-7,12H,1-2H3
InChIKey
GRSQZGQYBQLHAW-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

172.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 133.7
[M+Na]+ 195.08927 142.1
[M-H]- 171.09277 136.1
[M+NH4]+ 190.13387 151.3
[M+K]+ 211.06321 142.1
[M+H-H2O]+ 155.09731 127.4
[M+HCOO]- 217.09825 153.0
[M+CH3COO]- 231.11390 146.4
[M+Na-2H]- 193.07472 142.1
[M]+ 172.09950 130.2
[M]- 172.10060 130.2
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.