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

39
Patents

379.12805 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13533 183.9
[M+Na]+ 402.11727 189.3
[M-H]- 378.12077 185.5
[M+NH4]+ 397.16187 193.4
[M+K]+ 418.09121 184.9
[M+H-H2O]+ 362.12531 174.4
[M+HCOO]- 424.12625 198.6
[M+CH3COO]- 438.14190 191.7
[M+Na-2H]- 400.10272 185.5
[M]+ 379.12750 184.8
[M]- 379.12860 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