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

patents stripe