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 193.7
[M-H]- 361.17036 190.4
[M+NH4]+ 380.21146 196.8
[M+K]+ 401.14080 187.1
[M+H-H2O]+ 345.17490 177.4
[M+HCOO]- 407.17584 202.8
[M+CH3COO]- 421.19149 218.9
[M+Na-2H]- 383.15231 189.2
[M]+ 362.17709 190.1
[M]- 362.17819 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