CID 3053096

69518-43-0

Structural Information

Molecular Formula
C14H16N8O2S
SMILES
CC1=NC(=NC=C1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H16N8O2S/c1-10-6-8-16-14(17-10)22(9-7-13-18-20-21-19-13)25(23,24)12-4-2-11(15)3-5-12/h2-6,8H,7,9,15H2,1H3,(H,18,19,20,21)
InChIKey
GGWLEJHNKUPYJX-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1117 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11898 180.5
[M+Na]+ 383.10092 189.5
[M-H]- 359.10442 183.6
[M+NH4]+ 378.14552 186.3
[M+K]+ 399.07486 183.1
[M+H-H2O]+ 343.10896 170.1
[M+HCOO]- 405.10990 193.8
[M+CH3COO]- 419.12555 189.1
[M+Na-2H]- 381.08637 184.8
[M]+ 360.11115 181.6
[M]- 360.11225 181.6
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.