CID 13707820

4-chloro-5,6,7,8-tetrahydroquinazolin-2-amine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1CCC2=C(C1)C(=NC(=N2)N)Cl
InChI
InChI=1S/C8H10ClN3/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2,(H2,10,11,12)
InChIKey
BTLNLOHFQGIGLV-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7,8-tetrahydroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

183.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 136.5
[M+Na]+ 206.04554 145.6
[M-H]- 182.04904 137.5
[M+NH4]+ 201.09014 155.3
[M+K]+ 222.01948 141.0
[M+H-H2O]+ 166.05358 129.8
[M+HCOO]- 228.05452 151.5
[M+CH3COO]- 242.07017 148.9
[M+Na-2H]- 204.03099 143.9
[M]+ 183.05577 134.0
[M]- 183.05687 134.0
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