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

13
Patents

193.04068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.047956 137.8
[M+Na]+ 216.029898 148.5
[M-H]- 192.033404 139.3
[M+NH4]+ 211.074503 156.4
[M+K]+ 232.003838 143.2
[M+H-H2O]+ 176.037940 130.9
[M+HCOO]- 238.038881 155.4
[M+CH3COO]- 252.054531 150.9
[M+Na-2H]- 214.015346 146.8
[M]+ 193.04013142 138.5
[M]- 193.04122858 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