CID 11820777

Acetic acid, (pyrazinyloxy)-, [(2z)-4-(4-fluorophenyl)-3-(1-methylethyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

Molecular Formula
C18H18FN5O2S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18FN5O2S/c1-12(2)24-15(13-3-5-14(19)6-4-13)11-27-18(24)23-22-16(25)10-26-17-9-20-7-8-21-17/h3-9,11-12H,10H2,1-2H3,(H,22,25)/b23-18-
InChIKey
LJRRHQQZJMGQSO-NKFKGCMQSA-N
Compound name
N-[(Z)-[4-(4-fluorophenyl)-3-propan-2-yl-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.11652 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12380 187.9
[M+Na]+ 410.10574 195.8
[M-H]- 386.10924 194.6
[M+NH4]+ 405.15034 197.7
[M+K]+ 426.07968 190.3
[M+H-H2O]+ 370.11378 176.5
[M+HCOO]- 432.11472 205.5
[M+CH3COO]- 446.13037 222.7
[M+Na-2H]- 408.09119 188.2
[M]+ 387.11597 191.2
[M]- 387.11707 191.2
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.