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

24
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 164.9
[M+Na]+ 326.02222 175.4
[M-H]- 302.02572 168.8
[M+NH4]+ 321.06682 179.3
[M+K]+ 341.99616 167.4
[M+H-H2O]+ 286.03026 156.2
[M+HCOO]- 348.03120 177.0
[M+CH3COO]- 362.04685 175.9
[M+Na-2H]- 324.00767 172.5
[M]+ 303.03245 167.9
[M]- 303.03355 167.9
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