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

28
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

No literature data available for this compound.

Patent stripe

patents stripe