CID 211769

Nicotinamidine, n-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C15H17N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)N=C(C2=CN=CC=C2)N
InChI
InChI=1S/C15H17N3O3/c1-19-12-7-11(8-13(20-2)14(12)21-3)18-15(16)10-5-4-6-17-9-10/h4-9H,1-3H3,(H2,16,18)
InChIKey
TXHHBTIHUYSISJ-UHFFFAOYSA-N
Compound name
N'-(3,4,5-trimethoxyphenyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 165.8
[M+Na]+ 310.11620 173.2
[M-H]- 286.11970 172.5
[M+NH4]+ 305.16080 180.0
[M+K]+ 326.09014 171.1
[M+H-H2O]+ 270.12424 156.3
[M+HCOO]- 332.12518 191.2
[M+CH3COO]- 346.14083 208.6
[M+Na-2H]- 308.10165 170.3
[M]+ 287.12643 169.2
[M]- 287.12753 169.2
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.