CID 59801435

1,2-bis[4-(azidomethyl)phenyl]-1,2-diphenylethene

Structural Information

Molecular Formula
C28H22N6
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)CN=[N+]=[N-])/C4=CC=C(C=C4)CN=[N+]=[N-]
InChI
InChI=1S/C28H22N6/c29-33-31-19-21-11-15-25(16-12-21)27(23-7-3-1-4-8-23)28(24-9-5-2-6-10-24)26-17-13-22(14-18-26)20-32-34-30/h1-18H,19-20H2/b28-27+
InChIKey
IXQXFSMBYFNNPN-BYYHNAKLSA-N
Compound name
1-(azidomethyl)-4-[(E)-2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

442.19058 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.197856 208.7
[M+Na]+ 465.179798 207.9
[M-H]- 441.183304 222.8
[M+NH4]+ 460.224403 214.9
[M+K]+ 481.153738 192.2
[M+H-H2O]+ 425.187840 202.7
[M+HCOO]- 487.188781 239.3
[M+CH3COO]- 501.204431 237.6
[M+Na-2H]- 463.165246 216.9
[M]+ 442.19003142 201.5
[M]- 442.19112858 201.5
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