CID 1545969

4-amino-n-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C18H17N3O2S2
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H17N3O2S2/c1-2-23-14-10-8-12(9-11-14)20-17(22)15-16(19)21(18(24)25-15)13-6-4-3-5-7-13/h3-11H,2,19H2,1H3,(H,20,22)
InChIKey
XSCFDOSMKUELCR-UHFFFAOYSA-N
Compound name
4-amino-N-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.07623 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08351 184.0
[M+Na]+ 394.06545 192.7
[M-H]- 370.06895 192.4
[M+NH4]+ 389.11005 196.8
[M+K]+ 410.03939 184.9
[M+H-H2O]+ 354.07349 176.0
[M+HCOO]- 416.07443 198.5
[M+CH3COO]- 430.09008 194.1
[M+Na-2H]- 392.05090 182.5
[M]+ 371.07568 186.5
[M]- 371.07678 186.5
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.