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]+ 327.20671 178.9
[M+Na]+ 349.18865 182.0
[M-H]- 325.19215 186.2
[M+NH4]+ 344.23325 189.3
[M+K]+ 365.16259 181.9
[M+H-H2O]+ 309.19669 168.7
[M+HCOO]- 371.19763 195.5
[M+CH3COO]- 385.21328 187.7
[M+Na-2H]- 347.17410 179.0
[M]+ 326.19888 175.1
[M]- 326.19998 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.