CID 12457653

58155-35-4

Structural Information

Molecular Formula
C15H18N4O3S
SMILES
CCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C
InChI
InChI=1S/C15H18N4O3S/c1-3-17-15(20)19-23(21,22)14-10-16-8-7-13(14)18-12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,16,18)(H2,17,19,20)
InChIKey
ZPXQRKMODMEHCM-UHFFFAOYSA-N
Compound name
1-ethyl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.10995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.117226 175.2
[M+Na]+ 357.099168 181.2
[M-H]- 333.102674 180.6
[M+NH4]+ 352.143773 186.9
[M+K]+ 373.073108 176.6
[M+H-H2O]+ 317.107210 166.3
[M+HCOO]- 379.108151 194.2
[M+CH3COO]- 393.123801 212.8
[M+Na-2H]- 355.084616 180.3
[M]+ 334.10940142 176.6
[M]- 334.11049858 176.6
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