CID 345652

2,4-diamino-6-methylquinazoline

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

CC1=CC2=C(C=C1)N=C(N=C2N)N

InChI

InChI=1S/C9H10N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3,(H4,10,11,12,13)

InChIKey

LSNYLNXZYSKOGM-UHFFFAOYSA-N

Compound name

6-methylquinazoline-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 14
Patents: 174.09055 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.09783	135.2
[M+Na]+	197.07977	148.7
[M+NH4]+	192.12437	143.7
[M+K]+	213.05371	142.4
[M-H]-	173.08327	138.4
[M+Na-2H]-	195.06522	142.3
[M]+	174.09000	137.9
[M]-	174.09110	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe