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]+ 241.144776 154.8
[M+Na]+ 263.126718 162.1
[M-H]- 239.130224 158.6
[M+NH4]+ 258.171323 169.6
[M+K]+ 279.100658 156.5
[M+H-H2O]+ 223.134760 145.6
[M+HCOO]- 285.135701 174.3
[M+CH3COO]- 299.151351 165.6
[M+Na-2H]- 261.112166 161.0
[M]+ 240.13695142 148.8
[M]- 240.13804858 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

literature stripe

Patent stripe

patents stripe