CID 11003502

N-alpha-((9h-fluoren-9-ylmethoxy)carbonyl)-l-serine tert-butyl ester

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)(C)OC(=O)[C@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-20(25)19(12-24)23-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,24H,12-13H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKey
ZYOWIDHANLLHNO-IBGZPJMESA-N
Compound name
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

383.17328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 192.9
[M+Na]+ 406.162498 197.1
[M-H]- 382.166004 196.3
[M+NH4]+ 401.207103 207.2
[M+K]+ 422.136438 194.5
[M+H-H2O]+ 366.170540 186.4
[M+HCOO]- 428.171481 209.5
[M+CH3COO]- 442.187131 219.3
[M+Na-2H]- 404.147946 194.6
[M]+ 383.17273142 196.9
[M]- 383.17382858 196.9
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