CID 218053

2,4-diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate

Structural Information

Molecular Formula
C16H15Cl2N5
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H15Cl2N5/c1-23(8-9-2-4-12(17)13(18)6-9)10-3-5-14-11(7-10)15(19)22-16(20)21-14/h2-7H,8H2,1H3,(H4,19,20,21,22)
InChIKey
XXVLFFLQJPHYNJ-UHFFFAOYSA-N
Compound name
6-N-[(3,4-dichlorophenyl)methyl]-6-N-methylquinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

347.07047 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07775 179.1
[M+Na]+ 370.05969 195.1
[M+NH4]+ 365.10429 187.6
[M+K]+ 386.03363 186.1
[M-H]- 346.06319 185.4
[M+Na-2H]- 368.04514 187.7
[M]+ 347.06992 183.8
[M]- 347.07102 183.8
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

No patent data available for this compound.