CID 270325

Succinanilide

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O2/c19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
InChIKey
NOEOAZMRAXYIEK-UHFFFAOYSA-N
Compound name
N,N'-diphenylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

102
Patents

268.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 161.9
[M+Na]+ 291.11042 165.8
[M-H]- 267.11392 167.9
[M+NH4]+ 286.15502 176.8
[M+K]+ 307.08436 162.3
[M+H-H2O]+ 251.11846 153.3
[M+HCOO]- 313.11940 186.5
[M+CH3COO]- 327.13505 200.8
[M+Na-2H]- 289.09587 167.2
[M]+ 268.12065 160.2
[M]- 268.12175 160.2
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

patents stripe