CID 2756803

58237-94-8

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(C)(C)OC(=O)NC(C1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)10-8-16-11-7-5-4-6-9(10)11/h4-8,12,16H,1-3H3,(H,17,20)(H,18,19)
InChIKey
SORQKPVCWGOPQX-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

290.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 167.0
[M+Na]+ 313.11587 173.0
[M-H]- 289.11937 167.9
[M+NH4]+ 308.16047 182.3
[M+K]+ 329.08981 170.5
[M+H-H2O]+ 273.12391 160.8
[M+HCOO]- 335.12485 185.0
[M+CH3COO]- 349.14050 197.9
[M+Na-2H]- 311.10132 170.2
[M]+ 290.12610 168.2
[M]- 290.12720 168.2
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

patents stripe