CID 501270

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

Structural Information

Molecular Formula
C16H16N4O
SMILES
COC1=CC=C(C=C1)CC2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H16N4O/c1-21-12-5-2-10(3-6-12)8-11-4-7-14-13(9-11)15(17)20-16(18)19-14/h2-7,9H,8H2,1H3,(H4,17,18,19,20)
InChIKey
ZOJBILYZXCROHD-UHFFFAOYSA-N
Compound name
6-[(4-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

2.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.