CID 36047

32047-74-8

Structural Information

Molecular Formula
C15H16N2
SMILES
CN1CC2=CC=CC=C2N(C3=CC=CC=C31)C
InChI
InChI=1S/C15H16N2/c1-16-11-12-7-3-4-8-13(12)17(2)15-10-6-5-9-14(15)16/h3-10H,11H2,1-2H3
InChIKey
ISNMCLQAHBYOKS-UHFFFAOYSA-N
Compound name
5,11-dimethyl-6H-benzo[b][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 149.3
[M+Na]+ 247.120568 157.9
[M-H]- 223.124074 153.5
[M+NH4]+ 242.165173 166.5
[M+K]+ 263.094508 156.8
[M+H-H2O]+ 207.128610 142.2
[M+HCOO]- 269.129551 167.1
[M+CH3COO]- 283.145201 161.2
[M+Na-2H]- 245.106016 157.1
[M]+ 224.13080142 146.6
[M]- 224.13189858 146.6
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.