CID 447229

2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine

Structural Information

Molecular Formula
C18H22N6O3
SMILES
CN(CC1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
InChIKey
PUOZHLHNKHRTOW-UHFFFAOYSA-N
Compound name
6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

370.17532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 190.5
[M+Na]+ 393.16454 199.2
[M-H]- 369.16804 195.7
[M+NH4]+ 388.20914 199.5
[M+K]+ 409.13848 195.8
[M+H-H2O]+ 353.17258 179.2
[M+HCOO]- 415.17352 211.9
[M+CH3COO]- 429.18917 230.9
[M+Na-2H]- 391.14999 194.5
[M]+ 370.17477 195.0
[M]- 370.17587 195.0
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