CID 20266059

7-methoxyquinazolin-4-amine

Structural Information

Molecular Formula
C9H9N3O
SMILES
COC1=CC2=C(C=C1)C(=NC=N2)N
InChI
InChI=1S/C9H9N3O/c1-13-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12)
InChIKey
OPTQENVXDQCIOV-UHFFFAOYSA-N
Compound name
7-methoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

175.07455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.9
[M+Na]+ 198.063768 144.9
[M-H]- 174.067274 136.9
[M+NH4]+ 193.108373 153.4
[M+K]+ 214.037708 141.9
[M+H-H2O]+ 158.071810 127.4
[M+HCOO]- 220.072751 157.5
[M+CH3COO]- 234.088401 148.4
[M+Na-2H]- 196.049216 144.5
[M]+ 175.07400142 135.2
[M]- 175.07509858 135.2
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

patents stripe