CID 6448481

139193-90-1

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCN3CCCCCC3
InChI
InChI=1S/C20H26N2O2/c1-17-16-19(24-21-17)11-10-18-8-4-5-9-20(18)23-15-14-22-12-6-2-3-7-13-22/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3/b11-10+
InChIKey
LNZBYWOXIYSOIL-ZHACJKMWSA-N
Compound name
5-[(E)-2-[2-[2-(azepan-1-yl)ethoxy]phenyl]ethenyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 178.9
[M+Na]+ 349.188648 182.0
[M-H]- 325.192154 186.2
[M+NH4]+ 344.233253 189.3
[M+K]+ 365.162588 181.9
[M+H-H2O]+ 309.196690 168.7
[M+HCOO]- 371.197631 195.5
[M+CH3COO]- 385.213281 187.7
[M+Na-2H]- 347.174096 179.0
[M]+ 326.19888142 175.1
[M]- 326.19997858 175.1
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

No patent data available for this compound.