CID 11820786

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

Structural Information

Molecular Formula
C20H23N5O3S
SMILES
CC(C)CN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H23N5O3S/c1-14(2)11-25-17(15-4-6-16(27-3)7-5-15)13-29-20(25)24-23-18(26)12-28-19-10-21-8-9-22-19/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)/b24-20-
InChIKey
FPLDNFMDMMWBAG-GFMRDNFCSA-N
Compound name
N-[(Z)-[4-(4-methoxyphenyl)-3-(2-methylpropyl)-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.15944 196.9
[M+Na]+ 436.14138 203.4
[M-H]- 412.14488 204.6
[M+NH4]+ 431.18598 205.5
[M+K]+ 452.11532 198.7
[M+H-H2O]+ 396.14942 185.9
[M+HCOO]- 458.15036 215.0
[M+CH3COO]- 472.16601 228.1
[M+Na-2H]- 434.12683 197.0
[M]+ 413.15161 203.0
[M]- 413.15271 203.0
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.