CID 132562

Ici-d8731

Structural Information

Molecular Formula
C25H21N5O
SMILES
CCC1=NC2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
InChIKey
FSJCYXPMWQPVOS-UHFFFAOYSA-N
Compound name
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

175
Patents

407.17462 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18190 200.7
[M+Na]+ 430.16384 209.9
[M-H]- 406.16734 206.9
[M+NH4]+ 425.20844 205.6
[M+K]+ 446.13778 199.7
[M+H-H2O]+ 390.17188 186.6
[M+HCOO]- 452.17282 216.8
[M+CH3COO]- 466.18847 208.4
[M+Na-2H]- 428.14929 204.8
[M]+ 407.17407 201.9
[M]- 407.17517 201.9
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