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]+ 364.15434 188.6
[M+Na]+ 386.13628 193.9
[M-H]- 362.13978 193.8
[M+NH4]+ 381.18088 197.9
[M+K]+ 402.11022 191.8
[M+H-H2O]+ 346.14432 176.0
[M+HCOO]- 408.14526 203.5
[M+CH3COO]- 422.16091 215.5
[M+Na-2H]- 384.12173 188.8
[M]+ 363.14651 198.9
[M]- 363.14761 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.