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 171.8
[M+Na]+ 334.10497 177.3
[M-H]- 310.10847 177.8
[M+NH4]+ 329.14957 189.5
[M+K]+ 350.07891 173.7
[M+H-H2O]+ 294.11301 164.8
[M+HCOO]- 356.11395 192.7
[M+CH3COO]- 370.12960 202.1
[M+Na-2H]- 332.09042 175.6
[M]+ 311.11520 171.5
[M]- 311.11630 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.