CID 384606

Nsc674618

Structural Information

Molecular Formula
C24H24N2O
SMILES
CC1=CC2=C(C=C1C)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H24N2O/c1-16-13-23-24(14-17(16)2)26-22(19-9-11-20(27-3)12-10-19)15-21(25-23)18-7-5-4-6-8-18/h4-14,21,25H,15H2,1-3H3
InChIKey
PSIQDUJCLJWDIA-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18887 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19615 191.2
[M+Na]+ 379.17809 198.3
[M-H]- 355.18159 198.9
[M+NH4]+ 374.22269 201.1
[M+K]+ 395.15203 195.5
[M+H-H2O]+ 339.18613 181.5
[M+HCOO]- 401.18707 207.2
[M+CH3COO]- 415.20272 200.0
[M+Na-2H]- 377.16354 193.6
[M]+ 356.18832 187.8
[M]- 356.18942 187.8
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.