CID 11820771

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

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
CCCCN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C19H21N5O3S/c1-2-3-10-24-16(14-4-6-15(25)7-5-14)13-28-19(24)23-22-17(26)12-27-18-11-20-8-9-21-18/h4-9,11,13,25H,2-3,10,12H2,1H3,(H,22,26)/b23-19-
InChIKey
MVKJYJUTGNONDZ-NMWGTECJSA-N
Compound name
N-[(Z)-[3-butyl-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14378 191.7
[M+Na]+ 422.12572 198.6
[M-H]- 398.12922 198.1
[M+NH4]+ 417.17032 200.2
[M+K]+ 438.09966 192.7
[M+H-H2O]+ 382.13376 181.0
[M+HCOO]- 444.13470 209.7
[M+CH3COO]- 458.15035 222.1
[M+Na-2H]- 420.11117 193.0
[M]+ 399.13595 196.2
[M]- 399.13705 196.2
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.