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]+ 246.12370 155.0
[M+Na]+ 268.10564 164.2
[M-H]- 244.10914 157.1
[M+NH4]+ 263.15024 170.9
[M+K]+ 284.07958 160.6
[M+H-H2O]+ 228.11368 146.6
[M+HCOO]- 290.11462 177.1
[M+CH3COO]- 304.13027 197.8
[M+Na-2H]- 266.09109 162.7
[M]+ 245.11587 158.7
[M]- 245.11697 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.