CID 22032

Trimetamide

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CC1=NC(=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N
InChI
InChI=1S/C17H21N3O4/c1-10-5-6-11(16(18)20-10)9-19-17(21)12-7-13(22-2)15(24-4)14(8-12)23-3/h5-8H,9H2,1-4H3,(H2,18,20)(H,19,21)
InChIKey
QRYWJFOBXFDERP-UHFFFAOYSA-N
Compound name
N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

331.1532 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 178.4
[M+Na]+ 354.14242 186.0
[M-H]- 330.14592 184.1
[M+NH4]+ 349.18702 190.5
[M+K]+ 370.11636 183.5
[M+H-H2O]+ 314.15046 169.0
[M+HCOO]- 376.15140 201.7
[M+CH3COO]- 390.16705 217.1
[M+Na-2H]- 352.12787 180.0
[M]+ 331.15265 182.8
[M]- 331.15375 182.8
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.