CID 118753183

97r6kuk90k

Structural Information

Molecular Formula
C14H24F2N6O
SMILES
C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C(=N)N
InChI
InChI=1S/C14H24F2N6O/c15-14(16)1-2-22(9-14)12(23)11-7-10(8-19-11)20-3-5-21(6-4-20)13(17)18/h10-11,19H,1-9H2,(H3,17,18)/t10-,11-/m0/s1
InChIKey
FEGYZLGYBMDBMS-QWRGUYRKSA-N
Compound name
4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.19797 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.205246 176.3
[M+Na]+ 353.187188 178.5
[M-H]- 329.190694 175.7
[M+NH4]+ 348.231793 188.0
[M+K]+ 369.161128 174.4
[M+H-H2O]+ 313.195230 165.0
[M+HCOO]- 375.196171 184.9
[M+CH3COO]- 389.211821 208.1
[M+Na-2H]- 351.172636 170.1
[M]+ 330.19742142 160.9
[M]- 330.19851858 160.9
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

No patent data available for this compound.