CID 372083

Nsc646962

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CN(C)C(=O)CC(C1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C14H16N2O3/c1-16(2)13(17)7-10(14(18)19)11-8-15-12-6-4-3-5-9(11)12/h3-6,8,10,15H,7H2,1-2H3,(H,18,19)
InChIKey
GZCIQJUCDZFTOT-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.3
[M+Na]+ 283.105318 165.6
[M-H]- 259.108824 161.5
[M+NH4]+ 278.149923 176.3
[M+K]+ 299.079258 163.3
[M+H-H2O]+ 243.113360 152.5
[M+HCOO]- 305.114301 179.5
[M+CH3COO]- 319.129951 197.0
[M+Na-2H]- 281.090766 161.1
[M]+ 260.11555142 160.6
[M]- 260.11664858 160.6
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.