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]+ 378.17000 193.2
[M+Na]+ 400.15194 198.0
[M-H]- 376.15544 198.2
[M+NH4]+ 395.19654 202.0
[M+K]+ 416.12588 195.8
[M+H-H2O]+ 360.15998 180.4
[M+HCOO]- 422.16092 207.8
[M+CH3COO]- 436.17657 218.3
[M+Na-2H]- 398.13739 192.9
[M]+ 377.16217 203.9
[M]- 377.16327 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.