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]+ 312.123026 171.8
[M+Na]+ 334.104968 177.3
[M-H]- 310.108474 177.8
[M+NH4]+ 329.149573 189.5
[M+K]+ 350.078908 173.7
[M+H-H2O]+ 294.113010 164.8
[M+HCOO]- 356.113951 192.7
[M+CH3COO]- 370.129601 202.1
[M+Na-2H]- 332.090416 175.6
[M]+ 311.11520142 171.5
[M]- 311.11629858 171.5
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.