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]+ 331.20525 176.3
[M+Na]+ 353.18719 178.5
[M-H]- 329.19069 175.7
[M+NH4]+ 348.23179 188.0
[M+K]+ 369.16113 174.4
[M+H-H2O]+ 313.19523 165.0
[M+HCOO]- 375.19617 184.9
[M+CH3COO]- 389.21182 208.1
[M+Na-2H]- 351.17264 170.1
[M]+ 330.19742 160.9
[M]- 330.19852 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.