CID 154832109

2137971-99-2

Structural Information

Molecular Formula
C22H21NO4
SMILES
C=CCC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H21NO4/c1-2-11-22(20(24)25)13-23(14-22)21(26)27-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19H,1,11-14H2,(H,24,25)
InChIKey
ZJISUXOIXPLULG-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-prop-2-enylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.154336 188.6
[M+Na]+ 386.136278 193.9
[M-H]- 362.139784 193.8
[M+NH4]+ 381.180883 197.9
[M+K]+ 402.110218 191.8
[M+H-H2O]+ 346.144320 176.0
[M+HCOO]- 408.145261 203.5
[M+CH3COO]- 422.160911 215.5
[M+Na-2H]- 384.121726 188.8
[M]+ 363.14651142 198.9
[M]- 363.14760858 198.9
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.