CID 39354313

4-amino-n-(5-butoxy-2-pyrimidinyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H18N4O3S
SMILES
CCCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H18N4O3S/c1-2-3-8-21-12-9-16-14(17-10-12)18-22(19,20)13-6-4-11(15)5-7-13/h4-7,9-10H,2-3,8,15H2,1H3,(H,16,17,18)
InChIKey
GSFQJPLGVOTORF-UHFFFAOYSA-N
Compound name
4-amino-N-(5-butoxypyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.10995 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11723 172.4
[M+Na]+ 345.09917 179.8
[M-H]- 321.10267 176.1
[M+NH4]+ 340.14377 183.4
[M+K]+ 361.07311 174.6
[M+H-H2O]+ 305.10721 163.2
[M+HCOO]- 367.10815 189.8
[M+CH3COO]- 381.12380 208.0
[M+Na-2H]- 343.08462 177.4
[M]+ 322.10940 175.1
[M]- 322.11050 175.1
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