CID 457175

Chembl421053

Structural Information

Molecular Formula
C18H26N6O3
SMILES
CC1C(CNC2=NC(=NC(=C12)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C18H26N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,9-10,21H,7-8H2,1-4H3,(H5,19,20,22,23,24)
InChIKey
CIGWTUUVUZUHOF-UHFFFAOYSA-N
Compound name
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.20663 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21391 192.8
[M+Na]+ 397.19585 200.0
[M-H]- 373.19935 194.8
[M+NH4]+ 392.24045 200.5
[M+K]+ 413.16979 195.0
[M+H-H2O]+ 357.20389 182.3
[M+HCOO]- 419.20483 209.4
[M+CH3COO]- 433.22048 228.0
[M+Na-2H]- 395.18130 194.4
[M]+ 374.20608 192.1
[M]- 374.20718 192.1
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.