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
2
Annotation Hits

0
References

225
Patents

331.1532 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.160476 178.4
[M+Na]+ 354.142418 186.0
[M-H]- 330.145924 184.1
[M+NH4]+ 349.187023 190.5
[M+K]+ 370.116358 183.5
[M+H-H2O]+ 314.150460 169.0
[M+HCOO]- 376.151401 201.7
[M+CH3COO]- 390.167051 217.1
[M+Na-2H]- 352.127866 180.0
[M]+ 331.15265142 182.8
[M]- 331.15374858 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

literature stripe

Patent stripe

patents stripe