CID 69275493

899825-45-7

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)N1C(CC2=C1C=CC=C2OC)C(=O)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-10-6-5-7-12(20-4)9(10)8-11(16)13(17)18/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKey
DVRXXJLNPRWSKN-UHFFFAOYSA-N
Compound name
4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

293.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 166.8
[M+Na]+ 316.115518 174.3
[M-H]- 292.119024 169.0
[M+NH4]+ 311.160123 183.5
[M+K]+ 332.089458 172.9
[M+H-H2O]+ 276.123560 161.3
[M+HCOO]- 338.124501 183.5
[M+CH3COO]- 352.140151 199.6
[M+Na-2H]- 314.100966 168.2
[M]+ 293.12575142 170.7
[M]- 293.12684858 170.7
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