CID 379776

Nsc664866

Structural Information

Molecular Formula
C11H12ClN3O3
SMILES
CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)NN
InChI
InChI=1S/C11H12ClN3O3/c1-7(16)15(11(18)6-10(17)14-13)9-4-2-8(12)3-5-9/h2-5H,6,13H2,1H3,(H,14,17)
InChIKey
ZAAYBVJENGKIED-UHFFFAOYSA-N
Compound name
N-acetyl-N-(4-chlorophenyl)-3-hydrazinyl-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.05673 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06401 159.2
[M+Na]+ 292.04595 165.2
[M-H]- 268.04945 163.8
[M+NH4]+ 287.09055 175.7
[M+K]+ 308.01989 163.3
[M+H-H2O]+ 252.05399 153.0
[M+HCOO]- 314.05493 179.9
[M+CH3COO]- 328.07058 204.4
[M+Na-2H]- 290.03140 160.6
[M]+ 269.05618 160.5
[M]- 269.05728 160.5
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.