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]+ 225.13863 149.3
[M+Na]+ 247.12057 157.9
[M-H]- 223.12407 153.5
[M+NH4]+ 242.16517 166.5
[M+K]+ 263.09451 156.8
[M+H-H2O]+ 207.12861 142.2
[M+HCOO]- 269.12955 167.1
[M+CH3COO]- 283.14520 161.2
[M+Na-2H]- 245.10602 157.1
[M]+ 224.13080 146.6
[M]- 224.13190 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.