CID 154780163

2360159-36-8

Structural Information

Molecular Formula
C23H23NO4
SMILES
C=CCCC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H23NO4/c1-2-3-12-23(21(25)26)14-24(15-23)22(27)28-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h2,4-11,20H,1,3,12-15H2,(H,25,26)
InChIKey
QBRDSRKDEKMXAM-UHFFFAOYSA-N
Compound name
3-but-3-enyl-1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 193.2
[M+Na]+ 400.151938 198.0
[M-H]- 376.155444 198.2
[M+NH4]+ 395.196543 202.0
[M+K]+ 416.125878 195.8
[M+H-H2O]+ 360.159980 180.4
[M+HCOO]- 422.160921 207.8
[M+CH3COO]- 436.176571 218.3
[M+Na-2H]- 398.137386 192.9
[M]+ 377.16217142 203.9
[M]- 377.16326858 203.9
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.