CID 63310465

1340154-82-6

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC(C1CC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c1-21(19(23)24,13-10-11-13)22-20(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKey
SBWCIRABWAINIK-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.8
[M+Na]+ 374.13628 195.3
[M+NH4]+ 369.18088 191.5
[M+K]+ 390.11022 192.7
[M-H]- 350.13978 193.1
[M+Na-2H]- 372.12173 190.3
[M]+ 351.14651 189.1
[M]- 351.14761 189.1
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

patents stripe