CID 11820775

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

Structural Information

Molecular Formula
C18H18BrN5O2S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H18BrN5O2S/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
IIVNXNZGYIAENB-NKFKGCMQSA-N
Compound name
N-[(Z)-[4-(4-bromophenyl)-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

447.03647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.04375 183.7
[M+Na]+ 470.02569 194.2
[M-H]- 446.02919 193.9
[M+NH4]+ 465.07029 195.3
[M+K]+ 485.99963 181.4
[M+H-H2O]+ 430.03373 180.1
[M+HCOO]- 492.03467 200.4
[M+CH3COO]- 506.05032 227.2
[M+Na-2H]- 468.01114 186.7
[M]+ 447.03592 206.3
[M]- 447.03702 206.3
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.