CID 9904281

444904-63-6

Structural Information

Molecular Formula
C8H7Cl2N3
SMILES
C1C2=C(C=CC(=C2Cl)Cl)NC(=N1)N
InChI
InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
InChIKey
VBKOTIVQMCTTAQ-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,4-dihydroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

75
Patents

215.00171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00899 141.1
[M+Na]+ 237.99093 151.9
[M-H]- 213.99443 140.6
[M+NH4]+ 233.03553 158.6
[M+K]+ 253.96487 145.1
[M+H-H2O]+ 197.99897 135.5
[M+HCOO]- 259.99991 150.9
[M+CH3COO]- 274.01556 152.8
[M+Na-2H]- 235.97638 147.5
[M]+ 215.00116 139.6
[M]- 215.00226 139.6
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

patents stripe