CID 504938

N,n-dibenzyl-2-oxo-succinamic acid

Structural Information

Molecular Formula
C18H17NO4
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C18H17NO4/c20-16(18(22)23)11-17(21)19(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,23)
InChIKey
DJKUENDHOUQKTE-UHFFFAOYSA-N
Compound name
4-(dibenzylamino)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.11575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 172.4
[M+Na]+ 334.10497 175.7
[M-H]- 310.10847 178.3
[M+NH4]+ 329.14957 185.4
[M+K]+ 350.07891 173.6
[M+H-H2O]+ 294.11301 163.8
[M+HCOO]- 356.11395 193.9
[M+CH3COO]- 370.12960 207.5
[M+Na-2H]- 332.09042 174.0
[M]+ 311.11520 173.2
[M]- 311.11630 173.2
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