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 173.7
[M+Na]+ 323.18422 179.3
[M-H]- 299.18772 180.1
[M+NH4]+ 318.22882 186.7
[M+K]+ 339.15816 177.4
[M+H-H2O]+ 283.19226 162.8
[M+HCOO]- 345.19320 197.6
[M+CH3COO]- 359.20885 217.2
[M+Na-2H]- 321.16967 178.3
[M]+ 300.19445 178.1
[M]- 300.19555 178.1
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.