CID 504929

4-[cyclohexylmethyl(2-naphthylmethyl)amino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C22H25NO4
SMILES
C1CCC(CC1)CN(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H25NO4/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/h4-5,8-12,16H,1-3,6-7,13-15H2,(H,26,27)
InChIKey
CJWSYKRRJXCYHA-UHFFFAOYSA-N
Compound name
4-[cyclohexylmethyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 187.0
[M+Na]+ 390.16756 187.5
[M-H]- 366.17106 192.2
[M+NH4]+ 385.21216 198.4
[M+K]+ 406.14150 184.7
[M+H-H2O]+ 350.17560 178.0
[M+HCOO]- 412.17654 202.3
[M+CH3COO]- 426.19219 219.6
[M+Na-2H]- 388.15301 186.3
[M]+ 367.17779 183.9
[M]- 367.17889 183.9
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.