CID 3066018

Brn 0622777

Structural Information

Molecular Formula
C18H26N4
SMILES
CCN(CC)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2)C
InChI
InChI=1S/C18H26N4/c1-4-21(5-2)11-12-22(14-17-9-7-6-8-10-17)18-13-16(3)19-15-20-18/h6-10,13,15H,4-5,11-12,14H2,1-3H3
InChIKey
KWNAOVXAOOUNSF-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.21576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.223036 174.8
[M+Na]+ 321.204978 179.1
[M-H]- 297.208484 180.5
[M+NH4]+ 316.249583 187.6
[M+K]+ 337.178918 176.3
[M+H-H2O]+ 281.213020 163.6
[M+HCOO]- 343.213961 198.1
[M+CH3COO]- 357.229611 217.0
[M+Na-2H]- 319.190426 179.6
[M]+ 298.21521142 177.7
[M]- 298.21630858 177.7
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.