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

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

literature stripe

Patent stripe

patents stripe