CID 71744139

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

Structural Information

Molecular Formula
C20H19N5O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC4=NNN=N4)C(=O)O
InChI
InChI=1S/C20H19N5O4/c26-19(27)17(9-10-18-22-24-25-23-18)21-20(28)29-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,28)(H,26,27)(H,22,23,24,25)/t17-/m0/s1
InChIKey
KCVWFZXYTWJVIX-KRWDZBQOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.1437 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15098 188.1
[M+Na]+ 416.13292 193.1
[M-H]- 392.13642 189.6
[M+NH4]+ 411.17752 197.0
[M+K]+ 432.10686 188.5
[M+H-H2O]+ 376.14096 178.5
[M+HCOO]- 438.14190 202.5
[M+CH3COO]- 452.15755 195.5
[M+Na-2H]- 414.11837 189.3
[M]+ 393.14315 189.3
[M]- 393.14425 189.3
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