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 177.2
[M+Na]+ 374.13628 184.2
[M-H]- 350.13978 184.4
[M+NH4]+ 369.18088 188.0
[M+K]+ 390.11022 179.0
[M+H-H2O]+ 334.14432 171.4
[M+HCOO]- 396.14526 195.3
[M+CH3COO]- 410.16091 215.1
[M+Na-2H]- 372.12173 181.1
[M]+ 351.14651 181.5
[M]- 351.14761 181.5
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