CID 24752844

(3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C18H21N5O2
SMILES
C1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)C(=O)C3=NC4=CC=CC=C4N=C3
InChI
InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1
InChIKey
XDSKICAQKGYYJF-OLZOCXBDSA-N
Compound name
[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.16953 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 180.3
[M+Na]+ 362.15875 185.0
[M-H]- 338.16225 185.2
[M+NH4]+ 357.20335 191.5
[M+K]+ 378.13269 180.4
[M+H-H2O]+ 322.16679 169.6
[M+HCOO]- 384.16773 194.2
[M+CH3COO]- 398.18338 188.5
[M+Na-2H]- 360.14420 177.1
[M]+ 339.16898 174.7
[M]- 339.17008 174.7
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.