CID 44296584

213745-86-9

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CNC1=NC=C(C(=N1)N)CC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)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
LCMRPHMVLYACMM-UHFFFAOYSA-N
Compound name
2-N-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe