CID 11820789

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

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
CC(C)CN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N5O2S/c1-14(2)11-24-16(15-6-4-3-5-7-15)13-27-19(24)23-22-17(25)12-26-18-10-20-8-9-21-18/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/b23-19-
InChIKey
DKQHQDJAOKTOIM-NMWGTECJSA-N
Compound name
N-[(Z)-[3-(2-methylpropyl)-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

383.1416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 189.3
[M+Na]+ 406.13082 195.8
[M-H]- 382.13432 196.8
[M+NH4]+ 401.17542 198.9
[M+K]+ 422.10476 190.6
[M+H-H2O]+ 366.13886 178.4
[M+HCOO]- 428.13980 207.6
[M+CH3COO]- 442.15545 221.8
[M+Na-2H]- 404.11627 190.3
[M]+ 383.14105 193.3
[M]- 383.14215 193.3
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.