CID 16228811

2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine

Structural Information

Molecular Formula
C14H15N3
SMILES
C1CC2=NC(=NC=C2CC1N)C3=CC=CC=C3
InChI
InChI=1S/C14H15N3/c15-12-6-7-13-11(8-12)9-16-14(17-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8,15H2
InChIKey
DBOFAIZAMCFPNL-UHFFFAOYSA-N
Compound name
2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.1266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 150.7
[M+Na]+ 248.115818 157.9
[M-H]- 224.119324 154.7
[M+NH4]+ 243.160423 166.4
[M+K]+ 264.089758 152.6
[M+H-H2O]+ 208.123860 141.4
[M+HCOO]- 270.124801 169.8
[M+CH3COO]- 284.140451 161.9
[M+Na-2H]- 246.101266 158.1
[M]+ 225.12605142 145.8
[M]- 225.12714858 145.8
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