CID 22615990

Schembl9818389

Structural Information

Molecular Formula
C24H19N5O2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C24H19N5O2/c1-3-7-22(24-26-28-29-27-24)18(6-1)15-30-20-11-13-21(14-12-20)31-16-19-10-9-17-5-2-4-8-23(17)25-19/h1-14H,15-16H2,(H,26,27,28,29)
InChIKey
SOMUITKIBMREBL-UHFFFAOYSA-N
Compound name
2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

409.15387 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.161146 197.1
[M+Na]+ 432.143088 205.5
[M-H]- 408.146594 203.0
[M+NH4]+ 427.187693 201.4
[M+K]+ 448.117028 196.3
[M+H-H2O]+ 392.151130 182.8
[M+HCOO]- 454.152071 213.6
[M+CH3COO]- 468.167721 204.8
[M+Na-2H]- 430.128536 202.6
[M]+ 409.15332142 198.8
[M]- 409.15441858 198.8
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