CID 484957

Chembl266024

Structural Information

Molecular Formula
C16H17F3N4O
SMILES
C1CC2=C(CC1CC3=CC(=CC=C3)OC(F)(F)F)C(=NC(=N2)N)N
InChI
InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
InChIKey
GMRSQGMZHOCITF-UHFFFAOYSA-N
Compound name
6-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.13544 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14272 178.1
[M+Na]+ 361.12466 185.9
[M-H]- 337.12816 178.1
[M+NH4]+ 356.16926 189.0
[M+K]+ 377.09860 179.6
[M+H-H2O]+ 321.13270 166.1
[M+HCOO]- 383.13364 192.1
[M+CH3COO]- 397.14929 215.2
[M+Na-2H]- 359.11011 181.4
[M]+ 338.13489 170.7
[M]- 338.13599 170.7
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.