CID 501273

6-[(3,5-dimethoxyphenyl)methyl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C17H18N4O2
SMILES
COC1=CC(=CC(=C1)CC2=CC3=C(C=C2)N=C(N=C3N)N)OC
InChI
InChI=1S/C17H18N4O2/c1-22-12-6-11(7-13(9-12)23-2)5-10-3-4-15-14(8-10)16(18)21-17(19)20-15/h3-4,6-9H,5H2,1-2H3,(H4,18,19,20,21)
InChIKey
MTLBTJZHPALOAB-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethoxyphenyl)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

310.14297 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 174.4
[M+Na]+ 333.13219 183.8
[M-H]- 309.13569 179.2
[M+NH4]+ 328.17679 186.8
[M+K]+ 349.10613 178.6
[M+H-H2O]+ 293.14023 164.4
[M+HCOO]- 355.14117 195.9
[M+CH3COO]- 369.15682 213.1
[M+Na-2H]- 331.11764 179.4
[M]+ 310.14242 175.7
[M]- 310.14352 175.7
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.