CID 68269

Hetramine

Structural Information

Molecular Formula
C15H20N4
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=NC=CC=N2
InChI
InChI=1S/C15H20N4/c1-18(2)11-12-19(15-16-9-6-10-17-15)13-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3
InChIKey
SVBNKTIROPNBQH-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

256.1688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 160.7
[M+Na]+ 279.15802 165.4
[M-H]- 255.16152 166.6
[M+NH4]+ 274.20262 174.9
[M+K]+ 295.13196 163.4
[M+H-H2O]+ 239.16606 150.0
[M+HCOO]- 301.16700 185.1
[M+CH3COO]- 315.18265 207.0
[M+Na-2H]- 277.14347 168.0
[M]+ 256.16825 162.2
[M]- 256.16935 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe