CID 7009853

(3r)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)hex-5-enoic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C=CC[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h2-6,8-11,14,19H,1,7,12-13H2,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKey
SVCMPCVPSYAVJO-CQSZACIVSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

351.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.2
[M+Na]+ 374.136278 188.9
[M-H]- 350.139784 187.5
[M+NH4]+ 369.180883 199.5
[M+K]+ 390.110218 184.4
[M+H-H2O]+ 334.144320 177.2
[M+HCOO]- 396.145261 202.8
[M+CH3COO]- 410.160911 214.4
[M+Na-2H]- 372.121726 185.0
[M]+ 351.14651142 186.3
[M]- 351.14760858 186.3
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