CID 516676

Chembl426768

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1=CC=C2C(=C1)C=CC=C2COC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H14N4O/c16-14-13(8-18-15(17)19-14)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H4,16,17,18,19)
InChIKey
LAPNSEFMQHJTRR-UHFFFAOYSA-N
Compound name
5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 160.1
[M+Na]+ 289.10598 168.8
[M-H]- 265.10948 164.5
[M+NH4]+ 284.15058 173.8
[M+K]+ 305.07992 163.2
[M+H-H2O]+ 249.11402 150.5
[M+HCOO]- 311.11496 182.2
[M+CH3COO]- 325.13061 171.3
[M+Na-2H]- 287.09143 167.9
[M]+ 266.11621 158.6
[M]- 266.11731 158.6
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.