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

15
Patents

174.09055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.5
[M+Na]+ 197.07977 146.8
[M-H]- 173.08327 138.4
[M+NH4]+ 192.12437 154.8
[M+K]+ 213.05371 142.8
[M+H-H2O]+ 157.08781 129.2
[M+HCOO]- 219.08875 159.2
[M+CH3COO]- 233.10440 149.7
[M+Na-2H]- 195.06522 144.7
[M]+ 174.09000 134.1
[M]- 174.09110 134.1
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

No patent data available for this compound.