CID 6448479

139193-89-8

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCN3CCOCC3
InChI
InChI=1S/C18H22N2O3/c1-15-14-17(23-19-15)7-6-16-4-2-3-5-18(16)22-13-10-20-8-11-21-12-9-20/h2-7,14H,8-13H2,1H3/b7-6+
InChIKey
BYNDCGDCPHEGAE-VOTSOKGWSA-N
Compound name
4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.170336 175.4
[M+Na]+ 337.152278 180.7
[M-H]- 313.155784 182.7
[M+NH4]+ 332.196883 185.7
[M+K]+ 353.126218 178.6
[M+H-H2O]+ 297.160320 165.4
[M+HCOO]- 359.161261 192.5
[M+CH3COO]- 373.176911 185.4
[M+Na-2H]- 335.137726 177.5
[M]+ 314.16251142 176.1
[M]- 314.16360858 176.1
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.