CID 25146063

(2s)-6-azido-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

Structural Information

Molecular Formula
C21H22N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C21H22N4O4/c22-25-23-12-6-5-11-19(20(26)27)24-21(28)29-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,24,28)(H,26,27)/t19-/m0/s1
InChIKey
PJRFTUILPGJJIO-IBGZPJMESA-N
Compound name
(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

394.1641 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17138 190.0
[M+Na]+ 417.15332 191.9
[M-H]- 393.15682 195.3
[M+NH4]+ 412.19792 203.1
[M+K]+ 433.12726 184.0
[M+H-H2O]+ 377.16136 185.6
[M+HCOO]- 439.16230 214.9
[M+CH3COO]- 453.17795 224.3
[M+Na-2H]- 415.13877 195.9
[M]+ 394.16355 190.2
[M]- 394.16465 190.2
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