CID 484952

Chembl6970

Structural Information

Molecular Formula
C15H18N4
SMILES
C1CC2=C(CC1CC3=CC=CC=C3)C(=NC(=N2)N)N
InChI
InChI=1S/C15H18N4/c16-14-12-9-11(8-10-4-2-1-3-5-10)6-7-13(12)18-15(17)19-14/h1-5,11H,6-9H2,(H4,16,17,18,19)
InChIKey
JHAGNGFBQHOFEL-UHFFFAOYSA-N
Compound name
6-benzyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

254.15315 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 159.2
[M+Na]+ 277.14237 166.0
[M-H]- 253.14587 162.8
[M+NH4]+ 272.18697 173.4
[M+K]+ 293.11631 160.2
[M+H-H2O]+ 237.15041 149.8
[M+HCOO]- 299.15135 178.3
[M+CH3COO]- 313.16700 169.5
[M+Na-2H]- 275.12782 164.9
[M]+ 254.15260 153.5
[M]- 254.15370 153.5
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

No patent data available for this compound.