CID 101136486

1416881-50-9

Structural Information

Molecular Formula
C32H18N4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C=C(C(=C4)C#N)C#N)N5C6=CC=CC=C6C7=CC=CC=C75
InChI
InChI=1S/C32H18N4/c33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-18H
InChIKey
BSQBWXBFVYTYOL-UHFFFAOYSA-N
Compound name
4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

627
Patents

458.15314 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.16042 222.3
[M+Na]+ 481.14236 237.7
[M-H]- 457.14586 226.1
[M+NH4]+ 476.18696 229.5
[M+K]+ 497.11630 218.4
[M+H-H2O]+ 441.15040 203.0
[M+HCOO]- 503.15134 231.2
[M+CH3COO]- 517.16699 225.7
[M+Na-2H]- 479.12781 219.6
[M]+ 458.15259 216.5
[M]- 458.15369 216.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe