CID 25247781

1172393-77-9

Structural Information

Molecular Formula
C16H22F2N6
SMILES
CCN1C=C(C(=N1)C)C2=CC(=NC(=N2)N3CCC(CC3)N)C(F)F
InChI
InChI=1S/C16H22F2N6/c1-3-24-9-12(10(2)22-24)13-8-14(15(17)18)21-16(20-13)23-6-4-11(19)5-7-23/h8-9,11,15H,3-7,19H2,1-2H3
InChIKey
ZPTALICHUZFUTD-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethyl)-6-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1874 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19468 182.2
[M+Na]+ 359.17662 189.8
[M-H]- 335.18012 182.5
[M+NH4]+ 354.22122 190.3
[M+K]+ 375.15056 183.2
[M+H-H2O]+ 319.18466 168.7
[M+HCOO]- 381.18560 194.2
[M+CH3COO]- 395.20125 189.8
[M+Na-2H]- 357.16207 179.1
[M]+ 336.18685 176.2
[M]- 336.18795 176.2
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.