CID 6477126

Nsc637610

Structural Information

Molecular Formula
C21H16N4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NN=C3S2)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C21H16N4O2S/c1-14(26)22-17-10-7-16(8-11-17)13-18-20(27)25-19(23-24-21(25)28-18)12-9-15-5-3-2-4-6-15/h2-13H,1H3,(H,22,26)/b12-9+,18-13-
InChIKey
KBNBLYDQMCBEMG-KTYKIUSQSA-N
Compound name
N-[4-[(Z)-[5-oxo-3-[(E)-2-phenylethenyl]-[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

388.0994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10668 193.3
[M+Na]+ 411.08862 204.7
[M-H]- 387.09212 202.2
[M+NH4]+ 406.13322 206.1
[M+K]+ 427.06256 196.7
[M+H-H2O]+ 371.09666 184.7
[M+HCOO]- 433.09760 212.1
[M+CH3COO]- 447.11325 204.1
[M+Na-2H]- 409.07407 192.5
[M]+ 388.09885 198.4
[M]- 388.09995 198.4
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.