CID 447021

2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CN(CC1=C(C=CC(=C1)OC)OC)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
InChIKey
YBJANOUTWRTBDK-UHFFFAOYSA-N
Compound name
6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-methylquinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

339.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 182.0
[M+Na]+ 362.15875 190.1
[M-H]- 338.16225 188.1
[M+NH4]+ 357.20335 193.5
[M+K]+ 378.13269 186.3
[M+H-H2O]+ 322.16679 171.4
[M+HCOO]- 384.16773 204.7
[M+CH3COO]- 398.18338 224.6
[M+Na-2H]- 360.14420 186.5
[M]+ 339.16898 184.3
[M]- 339.17008 184.3
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