CID 504935

N-benzyl-n-naphthalen-2-ylmethyl-2-oxo-succinamic acid

Structural Information

Molecular Formula
C22H19NO4
SMILES
C1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H19NO4/c24-20(22(26)27)13-21(25)23(14-16-6-2-1-3-7-16)15-17-10-11-18-8-4-5-9-19(18)12-17/h1-12H,13-15H2,(H,26,27)
InChIKey
QKXIWUHODYWRGJ-UHFFFAOYSA-N
Compound name
4-[benzyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13868 185.0
[M+Na]+ 384.12062 188.5
[M-H]- 360.12412 191.5
[M+NH4]+ 379.16522 196.8
[M+K]+ 400.09456 185.2
[M+H-H2O]+ 344.12866 175.7
[M+HCOO]- 406.12960 204.6
[M+CH3COO]- 420.14525 218.5
[M+Na-2H]- 382.10607 187.1
[M]+ 361.13085 186.1
[M]- 361.13195 186.1
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

No patent data available for this compound.