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

2
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 177.2
[M+Na]+ 374.136278 184.2
[M-H]- 350.139784 184.4
[M+NH4]+ 369.180883 188.0
[M+K]+ 390.110218 179.0
[M+H-H2O]+ 334.144320 171.4
[M+HCOO]- 396.145261 195.3
[M+CH3COO]- 410.160911 215.1
[M+Na-2H]- 372.121726 181.1
[M]+ 351.14651142 181.5
[M]- 351.14760858 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