CID 72565768

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
InChIKey
IXQXFSMBYFNNPN-UHFFFAOYSA-N
Compound name
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

442.19058 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19786 208.7
[M+Na]+ 465.17980 207.9
[M-H]- 441.18330 222.8
[M+NH4]+ 460.22440 214.9
[M+K]+ 481.15374 192.2
[M+H-H2O]+ 425.18784 202.7
[M+HCOO]- 487.18878 239.3
[M+CH3COO]- 501.20443 237.6
[M+Na-2H]- 463.16525 216.9
[M]+ 442.19003 201.5
[M]- 442.19113 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