CID 165757603

(1s,4r,5r)-2-{[(9h-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.1]heptane-5-carboxylic acid

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1[C@H]2C[C@H]([C@@H]1CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-21(25)19-10-14-9-13(19)11-23(14)22(26)27-12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,19-20H,9-12H2,(H,24,25)/t13-,14-,19+/m0/s1
InChIKey
SJQZIVLPJWPQOG-CKFHNAJUSA-N
Compound name
(1S,4R,5R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.154336 186.8
[M+Na]+ 386.136278 192.8
[M-H]- 362.139784 192.7
[M+NH4]+ 381.180883 205.8
[M+K]+ 402.110218 188.2
[M+H-H2O]+ 346.144320 181.5
[M+HCOO]- 408.145261 201.6
[M+CH3COO]- 422.160911 196.4
[M+Na-2H]- 384.121726 183.4
[M]+ 363.14651142 188.2
[M]- 363.14760858 188.2
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.