CID 13409560

Brn 6435578

Structural Information

Molecular Formula
C17H19ClN6
SMILES
CCCN(CC1=CC=C(C=C1)Cl)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C17H19ClN6/c1-2-9-24(10-11-3-5-12(18)6-4-11)14-8-7-13-15(22-14)16(19)23-17(20)21-13/h3-8H,2,9-10H2,1H3,(H4,19,20,21,23)
InChIKey
IBAZSUVJSJTTRA-UHFFFAOYSA-N
Compound name
6-N-[(4-chlorophenyl)methyl]-6-N-propylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14328 181.6
[M+Na]+ 365.12522 190.4
[M-H]- 341.12872 185.7
[M+NH4]+ 360.16982 192.4
[M+K]+ 381.09916 183.5
[M+H-H2O]+ 325.13326 171.1
[M+HCOO]- 387.13420 198.4
[M+CH3COO]- 401.14985 191.1
[M+Na-2H]- 363.11067 187.0
[M]+ 342.13545 183.2
[M]- 342.13655 183.2
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.