CID 447815

2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine

Structural Information

Molecular Formula
C19H24N6O3
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC(=C(C(=C3)OC)OC)OC)N)N
InChI
InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
InChIKey
PEGMMEYCSOZKIT-UHFFFAOYSA-N
Compound name
5-methyl-6-[(3,4,5-trimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

20
Patents

384.19098 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19826 196.5
[M+Na]+ 407.18020 205.6
[M-H]- 383.18370 201.8
[M+NH4]+ 402.22480 205.1
[M+K]+ 423.15414 202.1
[M+H-H2O]+ 367.18824 185.2
[M+HCOO]- 429.18918 217.4
[M+CH3COO]- 443.20483 235.2
[M+Na-2H]- 405.16565 199.1
[M]+ 384.19043 201.7
[M]- 384.19153 201.7
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.