CID 13409561

93683-97-7

Structural Information

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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14328 181.7
[M+Na]+ 365.12522 190.2
[M-H]- 341.12872 186.0
[M+NH4]+ 360.16982 192.4
[M+K]+ 381.09916 183.9
[M+H-H2O]+ 325.13326 171.5
[M+HCOO]- 387.13420 197.5
[M+CH3COO]- 401.14985 191.2
[M+Na-2H]- 363.11067 186.0
[M]+ 342.13545 182.8
[M]- 342.13655 182.8
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.