CID 11820770

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

Structural Information

Molecular Formula
C20H23N5O3S
SMILES
CCCCN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H23N5O3S/c1-3-4-11-25-17(15-5-7-16(27-2)8-6-15)14-29-20(25)24-23-18(26)13-28-19-12-21-9-10-22-19/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)/b24-20-
InChIKey
OCPBPNZXHZKTMX-GFMRDNFCSA-N
Compound name
N-[(Z)-[3-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.15216 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.159436 196.5
[M+Na]+ 436.141378 203.4
[M-H]- 412.144884 204.0
[M+NH4]+ 431.185983 205.1
[M+K]+ 452.115318 198.0
[M+H-H2O]+ 396.149420 185.2
[M+HCOO]- 458.150361 215.6
[M+CH3COO]- 472.166011 227.2
[M+Na-2H]- 434.126826 197.5
[M]+ 413.15161142 203.1
[M]- 413.15270858 203.1
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.