CID 25146062

(s)-5-azido-2-(fmoc-amino)pentanoic acid

Structural Information

Molecular Formula
C20H20N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C20H20N4O4/c21-24-22-11-5-10-18(19(25)26)23-20(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,23,27)(H,25,26)/t18-/m0/s1
InChIKey
TVPIDQLSARDIPX-SFHVURJKSA-N
Compound name
(2S)-5-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

380.14847 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 185.3
[M+Na]+ 403.13769 187.7
[M-H]- 379.14119 190.9
[M+NH4]+ 398.18229 199.0
[M+K]+ 419.11163 180.0
[M+H-H2O]+ 363.14573 181.2
[M+HCOO]- 425.14667 210.5
[M+CH3COO]- 439.16232 221.4
[M+Na-2H]- 401.12314 191.7
[M]+ 380.14792 185.2
[M]- 380.14902 185.2
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