CID 11820774

N-[(z)-[3-butyl-4-(p-tolyl)thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C20H23N5O2S
SMILES
CCCCN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H23N5O2S/c1-3-4-11-25-17(16-7-5-15(2)6-8-16)14-28-20(25)24-23-18(26)13-27-19-12-21-9-10-22-19/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)/b24-20-
InChIKey
LLLDWXZVPNEGGP-GFMRDNFCSA-N
Compound name
N-[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.15726 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16454 194.0
[M+Na]+ 420.14648 201.2
[M-H]- 396.14998 201.5
[M+NH4]+ 415.19108 203.4
[M+K]+ 436.12042 195.2
[M+H-H2O]+ 380.15452 182.9
[M+HCOO]- 442.15546 212.9
[M+CH3COO]- 456.17111 225.1
[M+Na-2H]- 418.13193 194.7
[M]+ 397.15671 199.3
[M]- 397.15781 199.3
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.