CID 479420

Chembl32220

Structural Information

Molecular Formula
C19H18N6O
SMILES
COC1=CC=C(C2=CC=CC=C21)CNC3=CC4=C(N=C(N=C4N=C3)N)N
InChI
InChI=1S/C19H18N6O/c1-26-16-7-6-11(13-4-2-3-5-14(13)16)9-22-12-8-15-17(20)24-19(21)25-18(15)23-10-12/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
InChIKey
UJMBIPBSRXHJCA-UHFFFAOYSA-N
Compound name
6-N-[(4-methoxynaphthalen-1-yl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.1542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16148 181.6
[M+Na]+ 369.14342 191.7
[M-H]- 345.14692 186.2
[M+NH4]+ 364.18802 191.7
[M+K]+ 385.11736 184.3
[M+H-H2O]+ 329.15146 170.4
[M+HCOO]- 391.15240 202.8
[M+CH3COO]- 405.16805 191.3
[M+Na-2H]- 367.12887 190.9
[M]+ 346.15365 182.4
[M]- 346.15475 182.4
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.