CID 203062

Benzamide, 5-amino-2-(octyloxy)-n-(2-pyrimidinyl)-

Structural Information

Molecular Formula
C19H26N4O2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=O)NC2=NC=CC=N2
InChI
InChI=1S/C19H26N4O2/c1-2-3-4-5-6-7-13-25-17-10-9-15(20)14-16(17)18(24)23-19-21-11-8-12-22-19/h8-12,14H,2-7,13,20H2,1H3,(H,21,22,23,24)
InChIKey
JVWCLDBWDVZCKV-UHFFFAOYSA-N
Compound name
5-amino-2-octoxy-N-pyrimidin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.20557 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.212846 184.4
[M+Na]+ 365.194788 188.7
[M-H]- 341.198294 187.1
[M+NH4]+ 360.239393 194.0
[M+K]+ 381.168728 183.9
[M+H-H2O]+ 325.202830 173.6
[M+HCOO]- 387.203771 205.5
[M+CH3COO]- 401.219421 217.5
[M+Na-2H]- 363.180236 187.4
[M]+ 342.20502142 186.0
[M]- 342.20611858 186.0
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.