CID 132968

Cgs-26303

Structural Information

Molecular Formula
C16H18N5O3P
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C3=NNN=N3)NCP(=O)(O)O
InChI
InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
InChIKey
UUMKQZVEZSXWBY-HNNXBMFYSA-N
Compound name
[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

665
Patents

359.11472 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12200 181.3
[M+Na]+ 382.10394 185.0
[M-H]- 358.10744 180.9
[M+NH4]+ 377.14854 187.1
[M+K]+ 398.07788 179.8
[M+H-H2O]+ 342.11198 168.2
[M+HCOO]- 404.11292 200.9
[M+CH3COO]- 418.12857 207.7
[M+Na-2H]- 380.08939 182.7
[M]+ 359.11417 177.9
[M]- 359.11527 177.9
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

patents stripe