CID 3060838

78311-79-2

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=C(C=C4)O)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)20-9-5-18(6-10-20)23-14-17-3-7-19(31)8-4-17/h3-10,13-14,31H,11-12H2,1-2H3,(H,26,27,28,29)
InChIKey
CFFYNFBXTBXVHU-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-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]+ 479.16084 211.7
[M+Na]+ 501.14278 219.7
[M-H]- 477.14628 218.3
[M+NH4]+ 496.18738 212.5
[M+K]+ 517.11672 211.6
[M+H-H2O]+ 461.15082 199.8
[M+HCOO]- 523.15176 224.3
[M+CH3COO]- 537.16741 218.3
[M+Na-2H]- 499.12823 214.8
[M]+ 478.15301 214.9
[M]- 478.15411 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.