CID 15954637

5-propyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]furan

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CCCC1=CC=C(O1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C
InChI
InChI=1S/C20H26N4O2/c1-5-7-17-9-10-18(26-17)8-6-11-25-19-14(2)12-16(13-15(19)3)20-21-23-24(4)22-20/h9-10,12-13H,5-8,11H2,1-4H3
InChIKey
IZYGFNCJDVAFNQ-UHFFFAOYSA-N
Compound name
5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.20557 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.4
[M+Na]+ 377.19479 196.9
[M-H]- 353.19829 193.0
[M+NH4]+ 372.23939 196.9
[M+K]+ 393.16873 192.6
[M+H-H2O]+ 337.20283 176.0
[M+HCOO]- 399.20377 207.1
[M+CH3COO]- 413.21942 216.1
[M+Na-2H]- 375.18024 185.4
[M]+ 354.20502 195.3
[M]- 354.20612 195.3
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