CID 563312

Brn 6424687

Structural Information

Molecular Formula
C16H18N6
SMILES
CCN(CC1=CC=CC=C1)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H18N6/c1-2-22(10-11-6-4-3-5-7-11)13-9-8-12-14(20-13)15(17)21-16(18)19-12/h3-9H,2,10H2,1H3,(H4,17,18,19,21)
InChIKey
SDOGGYNCBCZSLG-UHFFFAOYSA-N
Compound name
6-N-benzyl-6-N-ethylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.1593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16658 168.8
[M+Na]+ 317.14852 182.5
[M+NH4]+ 312.19312 176.2
[M+K]+ 333.12246 175.3
[M-H]- 293.15202 174.3
[M+Na-2H]- 315.13397 177.7
[M]+ 294.15875 172.2
[M]- 294.15985 172.2
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

No patent data available for this compound.