CID 9555834

Nsc640642

Structural Information

Molecular Formula
C26H23N5O2S
SMILES
C/C=C/C=N/N(C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C26H23N5O2S/c1-3-4-19-27-31(34(32,33)23-17-15-20(2)16-18-23)26-28-24(21-11-7-5-8-12-21)25(29-30-26)22-13-9-6-10-14-22/h3-19H,1-2H3/b4-3+,27-19+
InChIKey
HXOVZCHMWNKXFV-HOIMMBIJSA-N
Compound name
N-[(E)-[(E)-but-2-enylidene]amino]-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.15726 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16454 215.6
[M+Na]+ 492.14648 222.5
[M-H]- 468.14998 226.4
[M+NH4]+ 487.19108 219.6
[M+K]+ 508.12042 214.3
[M+H-H2O]+ 452.15452 202.0
[M+HCOO]- 514.15546 232.5
[M+CH3COO]- 528.17111 223.1
[M+Na-2H]- 490.13193 220.0
[M]+ 469.15671 218.4
[M]- 469.15781 218.4
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

No patent data available for this compound.