CID 505581

Methyl 4-[3-methylbut-2-enyl(2-naphthylmethyl)amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(=CCN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C(=O)OC)C
InChI
InChI=1S/C21H23NO4/c1-15(2)10-11-22(20(24)13-19(23)21(25)26-3)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-10,12H,11,13-14H2,1-3H3
InChIKey
KNERCUMAWRNPCM-UHFFFAOYSA-N
Compound name
methyl 4-[3-methylbut-2-enyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.5
[M+Na]+ 376.15194 189.1
[M-H]- 352.15544 190.1
[M+NH4]+ 371.19654 199.1
[M+K]+ 392.12588 187.1
[M+H-H2O]+ 336.15998 177.3
[M+HCOO]- 398.16092 204.9
[M+CH3COO]- 412.17657 220.6
[M+Na-2H]- 374.13739 184.8
[M]+ 353.16217 189.4
[M]- 353.16327 189.4
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.