CID 3066019

Brn 0622776

Structural Information

Molecular Formula
C18H26N4
SMILES
CCN(CC)CCN(CC1=CC=CC=C1)C2=NC=CC(=N2)C
InChI
InChI=1S/C18H26N4/c1-4-21(5-2)13-14-22(15-17-9-7-6-8-10-17)18-19-12-11-16(3)20-18/h6-12H,4-5,13-15H2,1-3H3
InChIKey
CYXITJLQPXDADH-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-diethyl-N'-(4-methylpyrimidin-2-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]+ 299.22304 174.8
[M+Na]+ 321.20498 179.1
[M-H]- 297.20848 180.5
[M+NH4]+ 316.24958 187.6
[M+K]+ 337.17892 176.3
[M+H-H2O]+ 281.21302 163.6
[M+HCOO]- 343.21396 198.1
[M+CH3COO]- 357.22961 217.0
[M+Na-2H]- 319.19043 179.6
[M]+ 298.21521 177.7
[M]- 298.21631 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.