CID 252220

N-methylquinazolin-4-amine

Structural Information

Molecular Formula
C9H9N3
SMILES
CNC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12)
InChIKey
ALMFHIAFDWANJI-UHFFFAOYSA-N
Compound name
N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

159.07965 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 131.2
[M+Na]+ 182.06887 145.9
[M+NH4]+ 177.11347 140.6
[M+K]+ 198.04281 138.3
[M-H]- 158.07237 134.4
[M+Na-2H]- 180.05432 140.2
[M]+ 159.07910 134.2
[M]- 159.08020 134.2
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

patents stripe