CID 6444889

Brn 2906048

Structural Information

Molecular Formula
C18H17ClN4O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2Cl)/C(=O)NN
InChI
InChI=1S/C18H17ClN4O3/c1-11(24)21-14-8-6-12(7-9-14)17(25)22-16(18(26)23-20)10-13-4-2-3-5-15(13)19/h2-10H,20H2,1H3,(H,21,24)(H,22,25)(H,23,26)/b16-10-
InChIKey
WQCBUKWFZZJHAT-YBEGLDIGSA-N
Compound name
4-acetamido-N-[(Z)-1-(2-chlorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0989 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10618 187.2
[M+Na]+ 395.08812 195.6
[M+NH4]+ 390.13272 191.7
[M+K]+ 411.06206 190.8
[M-H]- 371.09162 190.5
[M+Na-2H]- 393.07357 192.3
[M]+ 372.09835 189.0
[M]- 372.09945 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.