CID 3065829

Brn 0300698

Structural Information

Molecular Formula
C17H24N4O
SMILES
CC1=NC(=NC=C1)N(CCN(C)C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H24N4O/c1-14-9-10-18-17(19-14)21(12-11-20(2)3)13-15-5-7-16(22-4)8-6-15/h5-10H,11-13H2,1-4H3
InChIKey
YSQHRUDCGQECDO-UHFFFAOYSA-N
Compound name
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 172.9
[M+Na]+ 323.18422 185.8
[M+NH4]+ 318.22882 180.2
[M+K]+ 339.15816 178.6
[M-H]- 299.18772 177.9
[M+Na-2H]- 321.16967 181.9
[M]+ 300.19445 176.1
[M]- 300.19555 176.1
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.