CID 1729312

6994-51-0

Structural Information

Molecular Formula
C30H21N3O3S
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3)S(=O)(=O)OC6=CC=CC=C6
InChI
InChI=1S/C30H21N3O3S/c34-37(35,36-26-12-5-2-6-13-26)29-21-25(19-17-24(29)16-15-22-9-3-1-4-10-22)33-31-28-20-18-23-11-7-8-14-27(23)30(28)32-33/h1-21H/b16-15+
InChIKey
UVLVTQUZKGNXQB-FOCLMDBBSA-N
Compound name
phenyl 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

503.13037 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.13765 224.6
[M+Na]+ 526.11959 234.6
[M-H]- 502.12309 235.5
[M+NH4]+ 521.16419 230.3
[M+K]+ 542.09353 225.2
[M+H-H2O]+ 486.12763 212.4
[M+HCOO]- 548.12857 237.8
[M+CH3COO]- 562.14422 232.1
[M+Na-2H]- 524.10504 228.4
[M]+ 503.12982 229.2
[M]- 503.13092 229.2
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

patents stripe