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

19
Patents

362.17764 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.184916 187.0
[M+Na]+ 385.166858 193.7
[M-H]- 361.170364 190.4
[M+NH4]+ 380.211463 196.8
[M+K]+ 401.140798 187.1
[M+H-H2O]+ 345.174900 177.4
[M+HCOO]- 407.175841 202.8
[M+CH3COO]- 421.191491 218.9
[M+Na-2H]- 383.152306 189.2
[M]+ 362.17709142 190.1
[M]- 362.17818858 190.1
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