CID 479110

Schembl9158355

Structural Information

Molecular Formula
C19H22N4O2
SMILES
COCCCCOC1=CC2=C(C=C1)C(=CC=C2)C3=CN=C(N=C3N)N
InChI
InChI=1S/C19H22N4O2/c1-24-9-2-3-10-25-14-7-8-15-13(11-14)5-4-6-16(15)17-12-22-19(21)23-18(17)20/h4-8,11-12H,2-3,9-10H2,1H3,(H4,20,21,22,23)
InChIKey
FSZWVROHFBFVRG-UHFFFAOYSA-N
Compound name
5-[6-(4-methoxybutoxy)naphthalen-1-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.1743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 181.8
[M+Na]+ 361.16352 189.3
[M-H]- 337.16702 185.8
[M+NH4]+ 356.20812 192.7
[M+K]+ 377.13746 183.7
[M+H-H2O]+ 321.17156 171.2
[M+HCOO]- 383.17250 202.6
[M+CH3COO]- 397.18815 217.7
[M+Na-2H]- 359.14897 186.7
[M]+ 338.17375 183.4
[M]- 338.17485 183.4
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

patents stripe