CID 5835747

Z56762317

Structural Information

Molecular Formula
C31H28N4
SMILES
CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)/C=C/C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C31H28N4/c1-31(2,3)30-22-32-34-35(30)28-20-15-25(16-21-28)13-10-23-8-11-24(12-9-23)14-18-27-19-17-26-6-4-5-7-29(26)33-27/h4-22H,1-3H3/b13-10+,18-14+
InChIKey
GKWHNZNDFNDGOR-BHTJOUODSA-N
Compound name
2-[(E)-2-[4-[(E)-2-[4-(5-tert-butyltriazol-1-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.23138 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.23866 221.9
[M+Na]+ 479.22060 230.1
[M-H]- 455.22410 230.0
[M+NH4]+ 474.26520 227.0
[M+K]+ 495.19454 218.7
[M+H-H2O]+ 439.22864 207.6
[M+HCOO]- 501.22958 237.2
[M+CH3COO]- 515.24523 228.7
[M+Na-2H]- 477.20605 223.5
[M]+ 456.23083 222.7
[M]- 456.23193 222.7
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

No patent data available for this compound.