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

21
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

literature stripe

Patent stripe

patents stripe