CID 2808907

N-allyl-6,7-dimethoxy-4-quinazolinamine

Structural Information

Molecular Formula
C13H15N3O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NCC=C)OC
InChI
InChI=1S/C13H15N3O2/c1-4-5-14-13-9-6-11(17-2)12(18-3)7-10(9)15-8-16-13/h4,6-8H,1,5H2,2-3H3,(H,14,15,16)
InChIKey
CSWSXBIMJWCAFI-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-N-prop-2-enylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 155.0
[M+Na]+ 268.105638 164.2
[M-H]- 244.109144 157.1
[M+NH4]+ 263.150243 170.9
[M+K]+ 284.079578 160.6
[M+H-H2O]+ 228.113680 146.6
[M+HCOO]- 290.114621 177.1
[M+CH3COO]- 304.130271 197.8
[M+Na-2H]- 266.091086 162.7
[M]+ 245.11587142 158.7
[M]- 245.11696858 158.7
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

No patent data available for this compound.