CID 317602

6-[(4-chloroanilino)methyl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H14ClN5
SMILES
C1=CC(=CC=C1NCC2=CC3=C(C=C2)N=C(N=C3N)N)Cl
InChI
InChI=1S/C15H14ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h1-7,19H,8H2,(H4,17,18,20,21)
InChIKey
YKCKYHQDMIMFPM-UHFFFAOYSA-N
Compound name
6-[(4-chloroanilino)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

299.09378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10106 167.8
[M+Na]+ 322.08300 177.5
[M-H]- 298.08650 172.2
[M+NH4]+ 317.12760 181.1
[M+K]+ 338.05694 169.9
[M+H-H2O]+ 282.09104 158.9
[M+HCOO]- 344.09198 186.2
[M+CH3COO]- 358.10763 178.5
[M+Na-2H]- 320.06845 174.8
[M]+ 299.09323 167.1
[M]- 299.09433 167.1
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

No patent data available for this compound.