CID 132346733

2137517-18-9

Structural Information

Molecular Formula
C24H20ClNO4
SMILES
CC1=C(C=CC(=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChI
InChI=1S/C24H20ClNO4/c1-14-12-15(10-11-21(14)25)22(23(27)28)26-24(29)30-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-12,20,22H,13H2,1H3,(H,26,29)(H,27,28)
InChIKey
NNONZASZHXWDRS-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1081 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11538 199.3
[M+Na]+ 444.09732 206.1
[M-H]- 420.10082 206.5
[M+NH4]+ 439.14192 212.8
[M+K]+ 460.07126 200.1
[M+H-H2O]+ 404.10536 192.2
[M+HCOO]- 466.10630 213.5
[M+CH3COO]- 480.12195 226.2
[M+Na-2H]- 442.08277 199.0
[M]+ 421.10755 204.0
[M]- 421.10865 204.0
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.