CID 6410540

Sulfanilamide, n-(methoxypyridazinyl)-n-(2-(1h-tetrazol-5-yl)ethyl)-

Structural Information

Molecular Formula
C14H16N8O3S
SMILES
COC1=C(N=NC=C1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H16N8O3S/c1-25-12-6-8-16-19-14(12)22(9-7-13-17-20-21-18-13)26(23,24)11-4-2-10(15)3-5-11/h2-6,8H,7,9,15H2,1H3,(H,17,18,20,21)
InChIKey
PTLGJUVDAZHFNU-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methoxypyridazin-3-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1066 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11388 182.5
[M+Na]+ 399.09582 191.0
[M-H]- 375.09932 185.6
[M+NH4]+ 394.14042 187.4
[M+K]+ 415.06976 185.3
[M+H-H2O]+ 359.10386 172.0
[M+HCOO]- 421.10480 196.0
[M+CH3COO]- 435.12045 216.3
[M+Na-2H]- 397.08127 187.2
[M]+ 376.10605 184.9
[M]- 376.10715 184.9
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.