CID 29503

19216-53-6

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC
InChI
InChI=1S/C12H16N4O2/c1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12/h5-6H,1-4H3,(H2,13,14,15)
InChIKey
JALPLGVFZRCLGE-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

248.12732 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.134596 156.3
[M+Na]+ 271.116538 165.9
[M-H]- 247.120044 160.0
[M+NH4]+ 266.161143 172.6
[M+K]+ 287.090478 164.2
[M+H-H2O]+ 231.124580 147.9
[M+HCOO]- 293.125521 179.4
[M+CH3COO]- 307.141171 204.7
[M+Na-2H]- 269.101986 162.5
[M]+ 248.12677142 160.4
[M]- 248.12786858 160.4
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