CID 3060839

78311-80-5

Structural Information

Molecular Formula
C22H22N8O3S
SMILES
CC1=CC(=NC(=N1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)C
InChI
InChI=1S/C22H22N8O3S/c1-15-13-16(2)25-22(24-15)30(12-11-21-26-28-29-27-21)34(32,33)19-9-7-18(8-10-19)23-14-17-5-3-4-6-20(17)31/h3-10,13-14,31H,11-12H2,1-2H3,(H,26,27,28,29)
InChIKey
IJSHKQGQPHUZMS-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.15356 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.160836 211.7
[M+Na]+ 501.142778 219.7
[M-H]- 477.146284 218.3
[M+NH4]+ 496.187383 212.5
[M+K]+ 517.116718 211.6
[M+H-H2O]+ 461.150820 199.8
[M+HCOO]- 523.151761 224.3
[M+CH3COO]- 537.167411 218.3
[M+Na-2H]- 499.128226 214.8
[M]+ 478.15301142 214.9
[M]- 478.15410858 214.9
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.