CID 6078988

Nsc637634

Structural Information

Molecular Formula
C17H14N4O2S
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NN=C3S2)C4=CC=CO4
InChI
InChI=1S/C17H14N4O2S/c1-20(2)12-7-5-11(6-8-12)10-14-16(22)21-15(13-4-3-9-23-13)18-19-17(21)24-14/h3-10H,1-2H3/b14-10-
InChIKey
SBFKMLLYWBKTBA-UVTDQMKNSA-N
Compound name
(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.08374 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09102 177.6
[M+Na]+ 361.07296 191.8
[M-H]- 337.07646 190.1
[M+NH4]+ 356.11756 194.2
[M+K]+ 377.04690 188.4
[M+H-H2O]+ 321.08100 171.0
[M+HCOO]- 383.08194 200.4
[M+CH3COO]- 397.09759 191.7
[M+Na-2H]- 359.05841 177.1
[M]+ 338.08319 187.9
[M]- 338.08429 187.9
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.