CID 63285

75159-35-2

Structural Information

Molecular Formula
C9H7Cl2N3O
SMILES
C1=C(C=C(C2=C1C(=O)N(C=N2)CN)Cl)Cl
InChI
InChI=1S/C9H7Cl2N3O/c10-5-1-6-8(7(11)2-5)13-4-14(3-12)9(6)15/h1-2,4H,3,12H2
InChIKey
KFCKUWGCRIVJJR-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-6,8-dichloroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.99661 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.003886 146.5
[M+Na]+ 265.985828 159.4
[M-H]- 241.989334 148.0
[M+NH4]+ 261.030433 163.9
[M+K]+ 281.959768 153.1
[M+H-H2O]+ 225.993870 140.5
[M+HCOO]- 287.994811 159.2
[M+CH3COO]- 302.010461 159.3
[M+Na-2H]- 263.971276 153.0
[M]+ 242.99606142 149.7
[M]- 242.99715858 149.7
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.