CID 12478

Trimetozine

Structural Information

Molecular Formula
C14H19NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOCC2
InChI
InChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
XWVOEFLBOSSYGM-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

3344
Patents

281.1263 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 162.8
[M+Na]+ 304.11552 168.9
[M-H]- 280.11902 168.5
[M+NH4]+ 299.16012 176.0
[M+K]+ 320.08946 169.3
[M+H-H2O]+ 264.12356 154.4
[M+HCOO]- 326.12450 180.9
[M+CH3COO]- 340.14015 199.1
[M+Na-2H]- 302.10097 165.7
[M]+ 281.12575 165.8
[M]- 281.12685 165.8
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