CID 501268

6-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C16H16N4O
SMILES
COC1=CC=CC=C1CC2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H16N4O/c1-21-14-5-3-2-4-11(14)8-10-6-7-13-12(9-10)15(17)20-16(18)19-13/h2-7,9H,8H2,1H3,(H4,17,18,19,20)
InChIKey
KEWUVLDSBMHSDT-UHFFFAOYSA-N
Compound name
6-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

280.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 165.9
[M+Na]+ 303.12164 175.1
[M-H]- 279.12514 170.5
[M+NH4]+ 298.16624 179.4
[M+K]+ 319.09558 169.3
[M+H-H2O]+ 263.12968 156.2
[M+HCOO]- 325.13062 187.6
[M+CH3COO]- 339.14627 177.0
[M+Na-2H]- 301.10709 172.2
[M]+ 280.13187 165.1
[M]- 280.13297 165.1
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