CID 138991432

2309444-40-2

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC1=CC(=CC2=C1CC(N2C(=O)OC(C)(C)C)C(=O)O)OC
InChI
InChI=1S/C16H21NO5/c1-9-6-10(21-5)7-12-11(9)8-13(14(18)19)17(12)15(20)22-16(2,3)4/h6-7,13H,8H2,1-5H3,(H,18,19)
InChIKey
NGJJCMQQLTVSME-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 170.7
[M+Na]+ 330.13119 178.6
[M-H]- 306.13469 173.1
[M+NH4]+ 325.17579 187.1
[M+K]+ 346.10513 177.1
[M+H-H2O]+ 290.13923 165.4
[M+HCOO]- 352.14017 187.1
[M+CH3COO]- 366.15582 203.9
[M+Na-2H]- 328.11664 171.0
[M]+ 307.14142 175.4
[M]- 307.14252 175.4
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.