CID 22692627

2-chloro-n-[(4-chlorophenyl)methyl]quinazolin-4-amine

Structural Information

Molecular Formula
C15H11Cl2N3
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11Cl2N3/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H,18,19,20)
InChIKey
HHJNTBBYHYKRIQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-chlorophenyl)methyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

303.033 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04028 166.4
[M+Na]+ 326.02222 184.8
[M+NH4]+ 321.06682 176.2
[M+K]+ 341.99616 173.9
[M-H]- 302.02572 172.1
[M+Na-2H]- 324.00767 177.1
[M]+ 303.03245 171.5
[M]- 303.03355 171.5
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

patents stripe