CID 379322

Nsc663871

Structural Information

Molecular Formula
C24H18N2O
SMILES
C1=CC=C(C=C1)C2=NC(C3=CC=CN3C4=CC=CC=C42)(C5=CC=CC=C5)O
InChI
InChI=1S/C24H18N2O/c27-24(19-12-5-2-6-13-19)22-16-9-17-26(22)21-15-8-7-14-20(21)23(25-24)18-10-3-1-4-11-18/h1-17,27H
InChIKey
BUGXIDUUTMKTIA-UHFFFAOYSA-N
Compound name
4,6-diphenylpyrrolo[1,2-a][1,4]benzodiazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1419 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14918 189.9
[M+Na]+ 373.13112 199.0
[M-H]- 349.13462 199.3
[M+NH4]+ 368.17572 204.1
[M+K]+ 389.10506 194.0
[M+H-H2O]+ 333.13916 180.3
[M+HCOO]- 395.14010 207.9
[M+CH3COO]- 409.15575 199.7
[M+Na-2H]- 371.11657 194.8
[M]+ 350.14135 187.0
[M]- 350.14245 187.0
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.