CID 483228

Tcmdc-137806

Structural Information

Molecular Formula
C14H16N4
SMILES
C1CC2=C(CC1C3=CC=CC=C3)C(=NC(=N2)N)N
InChI
InChI=1S/C14H16N4/c15-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-5,10H,6-8H2,(H4,15,16,17,18)
InChIKey
LJOIZEJKRJKAPI-UHFFFAOYSA-N
Compound name
6-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

240.1375 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14478 154.8
[M+Na]+ 263.12672 162.1
[M-H]- 239.13022 158.6
[M+NH4]+ 258.17132 169.6
[M+K]+ 279.10066 156.5
[M+H-H2O]+ 223.13476 145.6
[M+HCOO]- 285.13570 174.3
[M+CH3COO]- 299.15135 165.6
[M+Na-2H]- 261.11217 161.0
[M]+ 240.13695 148.8
[M]- 240.13805 148.8
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

No patent data available for this compound.