CID 24720939

885266-64-8

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=C2C=CN(C2=CC=C1)CC(=O)O
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)16-11-5-4-6-12-10(11)7-8-17(12)9-13(18)19/h4-8H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
AOFNYIODSIXUBL-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 166.8
[M+Na]+ 313.11587 174.5
[M-H]- 289.11937 169.4
[M+NH4]+ 308.16047 183.2
[M+K]+ 329.08981 172.1
[M+H-H2O]+ 273.12391 160.4
[M+HCOO]- 335.12485 187.2
[M+CH3COO]- 349.14050 200.6
[M+Na-2H]- 311.10132 170.9
[M]+ 290.12610 170.8
[M]- 290.12720 170.8
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.