CID 852536

Nsc637613

Structural Information

Molecular Formula
C18H15N5OS
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NN=C3S2)C4=CN=CC=C4
InChI
InChI=1S/C18H15N5OS/c1-22(2)14-7-5-12(6-8-14)10-15-17(24)23-16(20-21-18(23)25-15)13-4-3-9-19-11-13/h3-11H,1-2H3/b15-10-
InChIKey
POSSXXCOJXDJMD-GDNBJRDFSA-N
Compound name
(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-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

349.09973 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10701 181.5
[M+Na]+ 372.08895 194.3
[M-H]- 348.09245 190.8
[M+NH4]+ 367.13355 195.3
[M+K]+ 388.06289 188.0
[M+H-H2O]+ 332.09699 172.3
[M+HCOO]- 394.09793 200.8
[M+CH3COO]- 408.11358 193.6
[M+Na-2H]- 370.07440 182.0
[M]+ 349.09918 188.0
[M]- 349.10028 188.0
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.