CID 132207249

Rimtuzalcap

Structural Information

Molecular Formula
C18H24F2N6O
SMILES
CC1=NN(C=C1)C2=NC(=CC(=N2)N3CCOCC3)NC4CCC(CC4)(F)F
InChI
InChI=1S/C18H24F2N6O/c1-13-4-7-26(24-13)17-22-15(21-14-2-5-18(19,20)6-3-14)12-16(23-17)25-8-10-27-11-9-25/h4,7,12,14H,2-3,5-6,8-11H2,1H3,(H,21,22,23)
InChIKey
OVLIDRAJVMUEMC-UHFFFAOYSA-N
Compound name
N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

32
Patents

378.19797 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20525 190.8
[M+Na]+ 401.18719 196.1
[M-H]- 377.19069 193.9
[M+NH4]+ 396.23179 196.9
[M+K]+ 417.16113 190.7
[M+H-H2O]+ 361.19523 175.4
[M+HCOO]- 423.19617 199.8
[M+CH3COO]- 437.21182 197.0
[M+Na-2H]- 399.17264 189.7
[M]+ 378.19742 182.1
[M]- 378.19852 182.1
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