CID 118753124

9ef838ejq8

Structural Information

Molecular Formula
C15H24F2N6O2
SMILES
C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2C=O)N3CCN(CC3)C(=N)N
InChI
InChI=1S/C15H24F2N6O2/c16-15(17)1-2-22(9-15)13(25)12-7-11(8-23(12)10-24)20-3-5-21(6-4-20)14(18)19/h10-12H,1-9H2,(H3,18,19)/t11-,12-/m0/s1
InChIKey
VMDSRLIVAHMKJX-RYUDHWBXSA-N
Compound name
4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)-1-formylpyrrolidin-3-yl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.19287 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20015 182.1
[M+Na]+ 381.18209 185.3
[M-H]- 357.18559 183.0
[M+NH4]+ 376.22669 193.5
[M+K]+ 397.15603 181.8
[M+H-H2O]+ 341.19013 170.9
[M+HCOO]- 403.19107 192.2
[M+CH3COO]- 417.20672 216.0
[M+Na-2H]- 379.16754 175.4
[M]+ 358.19232 169.9
[M]- 358.19342 169.9
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.