CID 5271233

105639-13-2

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C=O
InChI
InChI=1S/C19H22N2O4/c1-14-11-17(25-21-14)5-3-2-4-9-23-18-7-6-15(12-16(18)13-22)19-20-8-10-24-19/h6-7,11-13H,2-5,8-10H2,1H3
InChIKey
YBGQCIYWZSXFLF-UHFFFAOYSA-N
Compound name
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

342.15796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 180.2
[M+Na]+ 365.14718 187.4
[M-H]- 341.15068 188.7
[M+NH4]+ 360.19178 191.5
[M+K]+ 381.12112 185.8
[M+H-H2O]+ 325.15522 171.5
[M+HCOO]- 387.15616 200.8
[M+CH3COO]- 401.17181 209.5
[M+Na-2H]- 363.13263 180.5
[M]+ 342.15741 186.8
[M]- 342.15851 186.8
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