CID 4455157

107923-98-8

Structural Information

Molecular Formula
C18H26N4O2S
SMILES
CCCCCCCC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H26N4O2S/c1-3-4-5-6-7-8-16-13-14(2)20-18(21-16)22-25(23,24)17-11-9-15(19)10-12-17/h9-13H,3-8,19H2,1-2H3,(H,20,21,22)
InChIKey
SHNMWMQDTKOPMB-UHFFFAOYSA-N
Compound name
4-amino-N-(4-heptyl-6-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

362.17764 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18492 187.0
[M+Na]+ 385.16686 198.0
[M+NH4]+ 380.21146 192.4
[M+K]+ 401.14080 189.6
[M-H]- 361.17036 189.7
[M+Na-2H]- 383.15231 193.1
[M]+ 362.17709 189.6
[M]- 362.17819 189.6
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

patents stripe