CID 3053097

69518-44-1

Structural Information

Molecular Formula
C15H18N8O2S
SMILES
CC1=CC(=NC(=N1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N)C
InChI
InChI=1S/C15H18N8O2S/c1-10-9-11(2)18-15(17-10)23(8-7-14-19-21-22-20-14)26(24,25)13-5-3-12(16)4-6-13/h3-6,9H,7-8,16H2,1-2H3,(H,19,20,21,22)
InChIKey
QDSKIOGYWHCHCV-UHFFFAOYSA-N
Compound name
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.12735 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13463 186.2
[M+Na]+ 397.11657 195.5
[M-H]- 373.12007 189.5
[M+NH4]+ 392.16117 191.6
[M+K]+ 413.09051 188.8
[M+H-H2O]+ 357.12461 175.9
[M+HCOO]- 419.12555 199.1
[M+CH3COO]- 433.14120 194.6
[M+Na-2H]- 395.10202 189.2
[M]+ 374.12680 188.0
[M]- 374.12790 188.0
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.