CID 71744314

(2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1h-1,2,3,4-tetrazol-5-yl)propanoic acid

Structural Information

Molecular Formula
C19H17N5O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=NNN=N4)C(=O)O
InChI
InChI=1S/C19H17N5O4/c25-18(26)16(9-17-21-23-24-22-17)20-19(27)28-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,27)(H,25,26)(H,21,22,23,24)/t16-/m0/s1
InChIKey
MZBYOFZABYTSQS-INIZCTEOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2H-tetrazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

379.12805 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.135326 183.9
[M+Na]+ 402.117268 189.3
[M-H]- 378.120774 185.5
[M+NH4]+ 397.161873 193.4
[M+K]+ 418.091208 184.9
[M+H-H2O]+ 362.125310 174.4
[M+HCOO]- 424.126251 198.6
[M+CH3COO]- 438.141901 191.7
[M+Na-2H]- 400.102716 185.5
[M]+ 379.12750142 184.8
[M]- 379.12859858 184.8
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