CID 132350925

2138510-43-5

Structural Information

Molecular Formula
C23H21NO4
SMILES
C#CCC1(CCCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H21NO4/c1-2-12-23(21(25)26)13-7-14-24(23)22(27)28-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h1,3-6,8-11,20H,7,12-15H2,(H,25,26)
InChIKey
UXEZPZHZRYBXBZ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-2-prop-2-ynylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 197.9
[M+Na]+ 398.13628 207.9
[M-H]- 374.13978 200.8
[M+NH4]+ 393.18088 212.8
[M+K]+ 414.11022 196.9
[M+H-H2O]+ 358.14432 184.5
[M+HCOO]- 420.14526 208.3
[M+CH3COO]- 434.16091 205.2
[M+Na-2H]- 396.12173 194.6
[M]+ 375.14651 192.8
[M]- 375.14761 192.8
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.