CID 23276643

160972-33-8

Structural Information

Molecular Formula
C17H22N4O3S
SMILES
CCCCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C
InChI
InChI=1S/C17H22N4O3S/c1-3-4-9-19-17(22)21-25(23,24)16-12-18-10-8-15(16)20-14-7-5-6-13(2)11-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,20)(H2,19,21,22)
InChIKey
YITRQCQYMPXGMU-UHFFFAOYSA-N
Compound name
1-butyl-3-[4-(3-methylanilino)pyridin-3-yl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

362.14127 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14855 183.6
[M+Na]+ 385.13049 188.7
[M-H]- 361.13399 188.6
[M+NH4]+ 380.17509 194.1
[M+K]+ 401.10443 183.6
[M+H-H2O]+ 345.13853 174.2
[M+HCOO]- 407.13947 202.0
[M+CH3COO]- 421.15512 218.7
[M+Na-2H]- 383.11594 187.8
[M]+ 362.14072 185.7
[M]- 362.14182 185.7
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