CID 11792246

333777-34-7

Structural Information

Molecular Formula
C21H21NO4
SMILES
C[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c1-13-10-19(20(23)24)22(11-13)21(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)/t13-,19+/m1/s1
InChIKey
BMGFKWBYQPNFGZ-YJYMSZOUSA-N
Compound name
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

351.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.2
[M+Na]+ 374.13628 190.7
[M-H]- 350.13978 190.3
[M+NH4]+ 369.18088 200.6
[M+K]+ 390.11022 186.2
[M+H-H2O]+ 334.14432 177.4
[M+HCOO]- 396.14526 200.6
[M+CH3COO]- 410.16091 211.1
[M+Na-2H]- 372.12173 181.7
[M]+ 351.14651 185.1
[M]- 351.14761 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe