CID 485069

8-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C12H11ClN4
SMILES
C1CC2=C(C3=C1C=C(C=C3)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C12H11ClN4/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(14)17-12(15)16-9/h2-3,5H,1,4H2,(H4,14,15,16,17)
InChIKey
UYKSKDXJWWHFGJ-UHFFFAOYSA-N
Compound name
8-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

246.06723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07451 152.8
[M+Na]+ 269.05645 163.7
[M-H]- 245.05995 154.9
[M+NH4]+ 264.10105 170.0
[M+K]+ 285.03039 157.0
[M+H-H2O]+ 229.06449 145.5
[M+HCOO]- 291.06543 168.1
[M+CH3COO]- 305.08108 164.5
[M+Na-2H]- 267.04190 160.3
[M]+ 246.06668 151.4
[M]- 246.06778 151.4
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