CID 9934033

510733-97-8

Structural Information

Molecular Formula
C23H25F2N5O
SMILES
CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKey
FAIMGWSOSCFGRU-UHFFFAOYSA-N
Compound name
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

505
Patents

425.20273 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21001 201.9
[M+Na]+ 448.19195 206.2
[M-H]- 424.19545 207.5
[M+NH4]+ 443.23655 209.1
[M+K]+ 464.16589 200.2
[M+H-H2O]+ 408.19999 187.7
[M+HCOO]- 470.20093 217.7
[M+CH3COO]- 484.21658 208.6
[M+Na-2H]- 446.17740 203.0
[M]+ 425.20218 196.1
[M]- 425.20328 196.1
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