CID 3042655

Brn 0845589

Structural Information

Molecular Formula
C15H18N4O3S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H18N4O3S/c1-3-16-14(21)18-13(20)10-23-15-17-8-9-19(15)11-4-6-12(22-2)7-5-11/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)
InChIKey
FSLQSRVSUHJPQM-UHFFFAOYSA-N
Compound name
N-(ethylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11723 177.0
[M+Na]+ 357.09917 183.2
[M-H]- 333.10267 181.5
[M+NH4]+ 352.14377 189.8
[M+K]+ 373.07311 179.5
[M+H-H2O]+ 317.10721 168.0
[M+HCOO]- 379.10815 195.2
[M+CH3COO]- 393.12380 210.4
[M+Na-2H]- 355.08462 177.1
[M]+ 334.10940 181.2
[M]- 334.11050 181.2
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

No patent data available for this compound.