CID 492240

Py 875

Structural Information

Molecular Formula
C16H21N5O3
SMILES
COC1=CC(=CC(=C1OC)OC)N2CCC3=C(C2)C(=NC(=N3)N)N
InChI
InChI=1S/C16H21N5O3/c1-22-12-6-9(7-13(23-2)14(12)24-3)21-5-4-11-10(8-21)15(17)20-16(18)19-11/h6-7H,4-5,8H2,1-3H3,(H4,17,18,19,20)
InChIKey
OFDWBSHSHHZZSM-UHFFFAOYSA-N
Compound name
6-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.16443 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17171 180.7
[M+Na]+ 354.15365 189.1
[M-H]- 330.15715 183.9
[M+NH4]+ 349.19825 190.9
[M+K]+ 370.12759 185.0
[M+H-H2O]+ 314.16169 170.2
[M+HCOO]- 376.16263 198.4
[M+CH3COO]- 390.17828 217.3
[M+Na-2H]- 352.13910 183.6
[M]+ 331.16388 181.2
[M]- 331.16498 181.2
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.