CID 978350

132684-60-7

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-21(2,3)18(19(23)24)22-20(25)26-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17-18H,12H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKey
VZOHGJIGTNUNNC-GOSISDBHSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

339
Patents

353.16272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 183.4
[M+Na]+ 376.15194 192.4
[M+NH4]+ 371.19654 189.6
[M+K]+ 392.12588 189.7
[M-H]- 352.15544 183.9
[M+Na-2H]- 374.13739 185.8
[M]+ 353.16217 184.5
[M]- 353.16327 184.5
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