CID 485070

Benzo[f]quinazoline-1,3-diamine, 9-chloro-5,6-dihydro-

Structural Information

Molecular Formula
C12H11ClN4
SMILES
C1CC2=C(C3=C1C=CC(=C3)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C12H11ClN4/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(14)17-12(15)16-9/h1,3,5H,2,4H2,(H4,14,15,16,17)
InChIKey
QABNOYDEMOSYNL-UHFFFAOYSA-N
Compound name
9-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.