CID 493962

2,3-dihydroxy-n,n'-diphenylbutanediamide

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C(C=C1)NC(=O)C(C(C(=O)NC2=CC=CC=C2)O)O
InChI
InChI=1S/C16H16N2O4/c19-13(15(21)17-11-7-3-1-4-8-11)14(20)16(22)18-12-9-5-2-6-10-12/h1-10,13-14,19-20H,(H,17,21)(H,18,22)
InChIKey
RMACBBOFZDWABJ-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-N,N'-diphenylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

300.111 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.0
[M+Na]+ 323.10022 170.2
[M-H]- 299.10372 171.3
[M+NH4]+ 318.14482 179.8
[M+K]+ 339.07416 167.7
[M+H-H2O]+ 283.10826 159.8
[M+HCOO]- 345.10920 187.9
[M+CH3COO]- 359.12485 202.4
[M+Na-2H]- 321.08567 170.2
[M]+ 300.11045 164.2
[M]- 300.11155 164.2
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