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)pyridin-3-yl]sulfonylurea
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]+ 335.11723 175.2
[M+Na]+ 357.09917 181.2
[M-H]- 333.10267 180.6
[M+NH4]+ 352.14377 186.9
[M+K]+ 373.07311 176.6
[M+H-H2O]+ 317.10721 166.3
[M+HCOO]- 379.10815 194.2
[M+CH3COO]- 393.12380 212.8
[M+Na-2H]- 355.08462 180.3
[M]+ 334.10940 176.6
[M]- 334.11050 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