CID 8934577

2-(chloromethyl)quinazolin-4-amine

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)CCl)N
InChI
InChI=1S/C9H8ClN3/c10-5-8-12-7-4-2-1-3-6(7)9(11)13-8/h1-4H,5H2,(H2,11,12,13)
InChIKey
MOJZKOQRWCHOTE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.04068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 137.8
[M+Na]+ 216.02990 148.5
[M-H]- 192.03340 139.3
[M+NH4]+ 211.07450 156.4
[M+K]+ 232.00384 143.2
[M+H-H2O]+ 176.03794 130.9
[M+HCOO]- 238.03888 155.4
[M+CH3COO]- 252.05453 150.9
[M+Na-2H]- 214.01535 146.8
[M]+ 193.04013 138.5
[M]- 193.04123 138.5
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

patents stripe