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)-3-pyridinyl]sulfonyl]urea
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]+ 363.148546 183.6
[M+Na]+ 385.130488 188.7
[M-H]- 361.133994 188.6
[M+NH4]+ 380.175093 194.1
[M+K]+ 401.104428 183.6
[M+H-H2O]+ 345.138530 174.2
[M+HCOO]- 407.139471 202.0
[M+CH3COO]- 421.155121 218.7
[M+Na-2H]- 383.115936 187.8
[M]+ 362.14072142 185.7
[M]- 362.14181858 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