CID 509543

Chembl567665

Structural Information

Molecular Formula
C16H15ClN4
SMILES
C1=CC(=CC(=C1)Cl)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C16H15ClN4/c17-12-3-1-2-11(8-12)6-7-19-16-14-9-13(18)4-5-15(14)20-10-21-16/h1-5,8-10H,6-7,18H2,(H,19,20,21)
InChIKey
QULLWCPLDGXUJE-UHFFFAOYSA-N
Compound name
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.0985 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10578 167.7
[M+Na]+ 321.08772 176.8
[M-H]- 297.09122 171.9
[M+NH4]+ 316.13232 181.3
[M+K]+ 337.06166 169.1
[M+H-H2O]+ 281.09576 158.4
[M+HCOO]- 343.09670 185.2
[M+CH3COO]- 357.11235 178.4
[M+Na-2H]- 319.07317 175.3
[M]+ 298.09795 168.3
[M]- 298.09905 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.