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]+ 343.21285 184.4
[M+Na]+ 365.19479 188.7
[M-H]- 341.19829 187.1
[M+NH4]+ 360.23939 194.0
[M+K]+ 381.16873 183.9
[M+H-H2O]+ 325.20283 173.6
[M+HCOO]- 387.20377 205.5
[M+CH3COO]- 401.21942 217.5
[M+Na-2H]- 363.18024 187.4
[M]+ 342.20502 186.0
[M]- 342.20612 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.