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

171
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

literature stripe

Patent stripe

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