CID 101012641

92653-78-6

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CNC1=NC(=NC=C1CC2=CC(=C(C(=C2)OC)OC)OC)N
InChI
InChI=1S/C15H20N4O3/c1-17-14-10(8-18-15(16)19-14)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19)
InChIKey
MNKKQQWDHRYULB-UHFFFAOYSA-N
Compound name
4-N-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15353 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 172.2
[M+Na]+ 327.14275 185.0
[M+NH4]+ 322.18735 178.0
[M+K]+ 343.11669 179.1
[M-H]- 303.14625 175.7
[M+Na-2H]- 325.12820 178.9
[M]+ 304.15298 174.8
[M]- 304.15408 174.8
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.