CID 146049781

2413903-64-5

Structural Information

Molecular Formula
C24H26N2O4
SMILES
C1CN(CCC1C(=O)O)C2CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H26N2O4/c27-23(28)16-9-11-25(12-10-16)17-13-26(14-17)24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,16-17,22H,9-15H2,(H,27,28)
InChIKey
IODDTKJLAMIFMC-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18927 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 194.5
[M+Na]+ 429.17849 196.5
[M-H]- 405.18199 200.2
[M+NH4]+ 424.22309 198.2
[M+K]+ 445.15243 195.0
[M+H-H2O]+ 389.18653 179.2
[M+HCOO]- 451.18747 204.3
[M+CH3COO]- 465.20312 200.9
[M+Na-2H]- 427.16394 191.5
[M]+ 406.18872 199.9
[M]- 406.18982 199.9
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.