CID 71307022

1310575-53-1

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-3-18(19(22)23)21(2)20(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17-18H,3,12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKey
WBNLTUKBCCEZSD-SFHVURJKSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

339.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 181.0
[M+Na]+ 362.13628 186.0
[M-H]- 338.13978 186.0
[M+NH4]+ 357.18088 197.6
[M+K]+ 378.11022 183.7
[M+H-H2O]+ 322.14432 174.1
[M+HCOO]- 384.14526 200.3
[M+CH3COO]- 398.16091 215.4
[M+Na-2H]- 360.12173 181.5
[M]+ 339.14651 184.7
[M]- 339.14761 184.7
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