CID 11820781

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

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N5O2S/c1-13(2)23-15(14-6-4-3-5-7-14)12-26-18(23)22-21-16(24)11-25-17-10-19-8-9-20-17/h3-10,12-13H,11H2,1-2H3,(H,21,24)/b22-18-
InChIKey
XYGDATUPCNKLAO-PYCFMQQDSA-N
Compound name
N-[(Z)-(4-phenyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.12595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13323 185.1
[M+Na]+ 392.11517 192.1
[M-H]- 368.11867 192.9
[M+NH4]+ 387.15977 195.4
[M+K]+ 408.08911 187.1
[M+H-H2O]+ 352.12321 174.4
[M+HCOO]- 414.12415 203.8
[M+CH3COO]- 428.13980 219.0
[M+Na-2H]- 390.10062 186.6
[M]+ 369.12540 188.9
[M]- 369.12650 188.9
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.