CID 129968

Rg-7152

Structural Information

Molecular Formula
C20H19N5O2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)OCCCC4=NNN=N4
InChI
InChI=1S/C20H19N5O2/c1-2-8-19-15(5-1)10-11-16(21-19)14-27-18-7-3-6-17(13-18)26-12-4-9-20-22-24-25-23-20/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23,24,25)
InChIKey
XDPLTERFGJAMRU-UHFFFAOYSA-N
Compound name
2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

361.15387 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16115 184.4
[M+Na]+ 384.14309 192.8
[M-H]- 360.14659 187.2
[M+NH4]+ 379.18769 191.3
[M+K]+ 400.11703 185.1
[M+H-H2O]+ 344.15113 171.5
[M+HCOO]- 406.15207 201.6
[M+CH3COO]- 420.16772 192.9
[M+Na-2H]- 382.12854 190.8
[M]+ 361.15332 187.5
[M]- 361.15442 187.5
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