CID 1275132

1908-97-0

Structural Information

Molecular Formula
C18H16N4O2S2
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C18H16N4O2S2/c1-21(2)14-5-3-12(4-6-14)11-15-17(24)22(18(25)26-15)20-16(23)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,20,23)/b15-11-
InChIKey
QXSMCHBIZWTKRF-PTNGSMBKSA-N
Compound name
N-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.07147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07875 188.8
[M+Na]+ 407.06069 196.2
[M-H]- 383.06419 197.1
[M+NH4]+ 402.10529 200.3
[M+K]+ 423.03463 189.3
[M+H-H2O]+ 367.06873 180.2
[M+HCOO]- 429.06967 200.6
[M+CH3COO]- 443.08532 221.8
[M+Na-2H]- 405.04614 185.9
[M]+ 384.07092 189.8
[M]- 384.07202 189.8
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.