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]+ 244.00389 146.5
[M+Na]+ 265.98583 159.4
[M-H]- 241.98933 148.0
[M+NH4]+ 261.03043 163.9
[M+K]+ 281.95977 153.1
[M+H-H2O]+ 225.99387 140.5
[M+HCOO]- 287.99481 159.2
[M+CH3COO]- 302.01046 159.3
[M+Na-2H]- 263.97128 153.0
[M]+ 242.99606 149.7
[M]- 242.99716 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.