CID 504930

4-[3-methylbut-2-enyl(2-naphthylmethyl)amino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC(=CCN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C(=O)O)C
InChI
InChI=1S/C20H21NO4/c1-14(2)9-10-21(19(23)12-18(22)20(24)25)13-15-7-8-16-5-3-4-6-17(16)11-15/h3-9,11H,10,12-13H2,1-2H3,(H,24,25)
InChIKey
WHQFVAIJYFGDAU-UHFFFAOYSA-N
Compound name
4-[3-methylbut-2-enyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.8
[M+Na]+ 362.13628 184.3
[M-H]- 338.13978 184.1
[M+NH4]+ 357.18088 194.2
[M+K]+ 378.11022 181.7
[M+H-H2O]+ 322.14432 173.1
[M+HCOO]- 384.14526 199.0
[M+CH3COO]- 398.16091 216.0
[M+Na-2H]- 360.12173 180.2
[M]+ 339.14651 182.6
[M]- 339.14761 182.6
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.