CID 11820749

N-[(z)-[3-(4-chlorophenyl)-4-phenyl-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C21H16ClN5O2S
SMILES
C1=CC=C(C=C1)C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClN5O2S/c22-16-6-8-17(9-7-16)27-18(15-4-2-1-3-5-15)14-30-21(27)26-25-19(28)13-29-20-12-23-10-11-24-20/h1-12,14H,13H2,(H,25,28)/b26-21-
InChIKey
PJDPRXVMUUISGQ-QLYXXIJNSA-N
Compound name
N-[(Z)-[3-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.07132 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.07860 199.3
[M+Na]+ 460.06054 208.1
[M-H]- 436.06404 210.1
[M+NH4]+ 455.10514 207.4
[M+K]+ 476.03448 200.3
[M+H-H2O]+ 420.06858 187.9
[M+HCOO]- 482.06952 214.5
[M+CH3COO]- 496.08517 208.6
[M+Na-2H]- 458.04599 201.7
[M]+ 437.07077 204.6
[M]- 437.07187 204.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.