CID 165940956

Rac-(3r,4r)-4-(aminomethyl)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C21H22N2O4
SMILES
C1[C@H]([C@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)CN
InChI
InChI=1S/C21H22N2O4/c22-9-13-10-23(11-18(13)20(24)25)21(26)27-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,13,18-19H,9-12,22H2,(H,24,25)/t13-,18+/m1/s1
InChIKey
NTNVFFIECASXIT-ACJLOTCBSA-N
Compound name
(3R,4R)-4-(aminomethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15796 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 186.6
[M+Na]+ 389.14718 192.0
[M-H]- 365.15068 192.1
[M+NH4]+ 384.19178 201.7
[M+K]+ 405.12112 187.5
[M+H-H2O]+ 349.15522 179.4
[M+HCOO]- 411.15616 203.4
[M+CH3COO]- 425.17181 215.8
[M+Na-2H]- 387.13263 184.1
[M]+ 366.15741 186.0
[M]- 366.15851 186.0
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.