CID 102558392

N-cyclopropyl-3-((6,7-difluoroquinazolin-4-yl)amino)cyclohexane-1-carboxamide

Structural Information

Molecular Formula
C18H20F2N4O
SMILES
C1CC(CC(C1)NC2=NC=NC3=CC(=C(C=C32)F)F)C(=O)NC4CC4
InChI
InChI=1S/C18H20F2N4O/c19-14-7-13-16(8-15(14)20)21-9-22-17(13)23-12-3-1-2-10(6-12)18(25)24-11-4-5-11/h7-12H,1-6H2,(H,24,25)(H,21,22,23)
InChIKey
DXICOILJQFAWEY-UHFFFAOYSA-N
Compound name
N-cyclopropyl-3-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16780 178.6
[M+Na]+ 369.14974 185.7
[M-H]- 345.15324 183.4
[M+NH4]+ 364.19434 184.6
[M+K]+ 385.12368 178.5
[M+H-H2O]+ 329.15778 166.9
[M+HCOO]- 391.15872 194.4
[M+CH3COO]- 405.17437 186.5
[M+Na-2H]- 367.13519 180.9
[M]+ 346.15997 174.0
[M]- 346.16107 174.0
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.