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]+ 359.200146 182.1
[M+Na]+ 381.182088 185.3
[M-H]- 357.185594 183.0
[M+NH4]+ 376.226693 193.5
[M+K]+ 397.156028 181.8
[M+H-H2O]+ 341.190130 170.9
[M+HCOO]- 403.191071 192.2
[M+CH3COO]- 417.206721 216.0
[M+Na-2H]- 379.167536 175.4
[M]+ 358.19232142 169.9
[M]- 358.19341858 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

literature stripe

Patent stripe

No patent data available for this compound.