CID 53423663

91733-75-4

Structural Information

Molecular Formula
C18H17NO4
SMILES
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H17NO4/c20-16(21)18(10-14-8-4-5-9-15(14)11-18)19-17(22)23-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,22)(H,20,21)
InChIKey
OPRSNCQSGNLHNH-UHFFFAOYSA-N
Compound name
2-(phenylmethoxycarbonylamino)-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 172.4
[M+Na]+ 334.10497 182.6
[M+NH4]+ 329.14957 180.8
[M+K]+ 350.07891 176.7
[M-H]- 310.10847 175.2
[M+Na-2H]- 332.09042 179.4
[M]+ 311.11520 174.5
[M]- 311.11630 174.5
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.