CID 501276

6-[(3-chlorophenyl)methyl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H13ClN4
SMILES
C1=CC(=CC(=C1)Cl)CC2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H13ClN4/c16-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(17)20-15(18)19-13/h1-5,7-8H,6H2,(H4,17,18,19,20)
InChIKey
AEMPQONAQORXNS-UHFFFAOYSA-N
Compound name
6-[(3-chlorophenyl)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0829 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09018 164.9
[M+Na]+ 307.07212 175.5
[M-H]- 283.07562 169.3
[M+NH4]+ 302.11672 179.2
[M+K]+ 323.04606 167.8
[M+H-H2O]+ 267.08016 156.2
[M+HCOO]- 329.08110 182.2
[M+CH3COO]- 343.09675 176.2
[M+Na-2H]- 305.05757 171.2
[M]+ 284.08235 164.7
[M]- 284.08345 164.7
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.