CID 71744139

954147-36-5

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 190.2
[M+Na]+ 416.13292 199.2
[M+NH4]+ 411.17752 194.0
[M+K]+ 432.10686 199.2
[M-H]- 392.13642 189.8
[M+Na-2H]- 414.11837 193.0
[M]+ 393.14315 190.7
[M]- 393.14425 190.7
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