CID 3080421

Brn 4329030

Structural Information

Molecular Formula
C18H19ClN2O3
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NNC(=O)CCl)O
InChI
InChI=1S/C18H19ClN2O3/c1-12-3-7-14(8-4-12)18(24,15-9-5-13(2)6-10-15)17(23)21-20-16(22)11-19/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
GISPKZVFVFMALF-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10843 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11571 180.6
[M+Na]+ 369.09765 186.3
[M-H]- 345.10115 185.9
[M+NH4]+ 364.14225 193.3
[M+K]+ 385.07159 181.2
[M+H-H2O]+ 329.10569 173.7
[M+HCOO]- 391.10663 197.2
[M+CH3COO]- 405.12228 212.3
[M+Na-2H]- 367.08310 183.5
[M]+ 346.10788 181.9
[M]- 346.10898 181.9
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.