CID 256219

6-chloroquinazoline-2,4-diamine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1=CC2=C(C=C1Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C8H7ClN4/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,10,11,12,13)
InChIKey
ZMQPXDMCQOHVLV-UHFFFAOYSA-N
Compound name
6-chloroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

12
Patents

194.03592 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 138.3
[M+Na]+ 217.025138 149.6
[M-H]- 193.028644 139.9
[M+NH4]+ 212.069743 156.5
[M+K]+ 232.999078 144.2
[M+H-H2O]+ 177.033180 131.7
[M+HCOO]- 239.034121 156.6
[M+CH3COO]- 253.049771 151.3
[M+Na-2H]- 215.010586 146.4
[M]+ 194.03537142 137.5
[M]- 194.03646858 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe