CID 504934

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

Structural Information

Molecular Formula
C19H21NO4
SMILES
CC(C)CN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C19H21NO4/c1-13(2)11-20(18(22)10-17(21)19(23)24)12-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13H,10-12H2,1-2H3,(H,23,24)
InChIKey
LQUIXALDWFKUJO-UHFFFAOYSA-N
Compound name
4-[2-methylpropyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 177.3
[M+Na]+ 350.13628 180.9
[M-H]- 326.13978 180.8
[M+NH4]+ 345.18088 191.2
[M+K]+ 366.11022 179.2
[M+H-H2O]+ 310.14432 169.7
[M+HCOO]- 372.14526 195.7
[M+CH3COO]- 386.16091 214.4
[M+Na-2H]- 348.12173 177.3
[M]+ 327.14651 179.6
[M]- 327.14761 179.6
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.