CID 504951

N-(3-diethylcarbamoyl-phenyl)-n-naphthalen-2-ylmethyl-2-oxo-succinamic acid

Structural Information

Molecular Formula
C26H26N2O5
SMILES
CCN(CC)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C26H26N2O5/c1-3-27(4-2)25(31)21-10-7-11-22(15-21)28(24(30)16-23(29)26(32)33)17-18-12-13-19-8-5-6-9-20(19)14-18/h5-15H,3-4,16-17H2,1-2H3,(H,32,33)
InChIKey
QBEHBTOFWPWYAG-UHFFFAOYSA-N
Compound name
4-[3-(diethylcarbamoyl)-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 207.5
[M+Na]+ 469.17339 209.0
[M-H]- 445.17689 214.9
[M+NH4]+ 464.21799 216.0
[M+K]+ 485.14733 207.7
[M+H-H2O]+ 429.18143 197.4
[M+HCOO]- 491.18237 226.5
[M+CH3COO]- 505.19802 241.5
[M+Na-2H]- 467.15884 205.8
[M]+ 446.18362 210.9
[M]- 446.18472 210.9
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.