CID 826852

3-(n,n'-diphenyl-hydrazinocarbonyl)-propionic acid

Structural Information

Molecular Formula
C16H16N2O3
SMILES
C1=CC=C(C=C1)NN(C2=CC=CC=C2)C(=O)CCC(=O)O
InChI
InChI=1S/C16H16N2O3/c19-15(11-12-16(20)21)18(14-9-5-2-6-10-14)17-13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H,20,21)
InChIKey
IPLDYEAELGBFBT-UHFFFAOYSA-N
Compound name
4-(N-anilinoanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 165.0
[M+Na]+ 307.10532 168.4
[M-H]- 283.10882 171.0
[M+NH4]+ 302.14992 178.9
[M+K]+ 323.07926 166.1
[M+H-H2O]+ 267.11336 156.2
[M+HCOO]- 329.11430 188.7
[M+CH3COO]- 343.12995 204.5
[M+Na-2H]- 305.09077 169.1
[M]+ 284.11555 164.1
[M]- 284.11665 164.1
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

patents stripe