CID 5388667

Nsc637674

Structural Information

Molecular Formula
C18H13N5O2S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NN=C3S2)C4=CN=CC=C4
InChI
InChI=1S/C18H13N5O2S/c1-11(24)20-14-6-4-12(5-7-14)9-15-17(25)23-16(21-22-18(23)26-15)13-3-2-8-19-10-13/h2-10H,1H3,(H,20,24)/b15-9-
InChIKey
OORVQTNEXRBQGH-DHDCSXOGSA-N
Compound name
N-[4-[(Z)-(5-oxo-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.079 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08628 184.0
[M+Na]+ 386.06822 196.4
[M-H]- 362.07172 192.2
[M+NH4]+ 381.11282 196.5
[M+K]+ 402.04216 189.4
[M+H-H2O]+ 346.07626 175.3
[M+HCOO]- 408.07720 202.3
[M+CH3COO]- 422.09285 195.3
[M+Na-2H]- 384.05367 184.6
[M]+ 363.07845 189.4
[M]- 363.07955 189.4
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.