CID 27281308

323591-38-4

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC2=C(C=C1CCl)N=CN=C2N
InChI
InChI=1S/C9H8ClN3/c10-4-6-1-2-7-8(3-6)12-5-13-9(7)11/h1-3,5H,4H2,(H2,11,12,13)
InChIKey
GGUBGJHROIMMNE-UHFFFAOYSA-N
Compound name
7-(chloromethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.04068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 137.0
[M+Na]+ 216.02990 152.6
[M+NH4]+ 211.07450 146.5
[M+K]+ 232.00384 144.5
[M-H]- 192.03340 140.1
[M+Na-2H]- 214.01535 145.3
[M]+ 193.04013 140.4
[M]- 193.04123 140.4
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

patents stripe