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

literature stripe

Patent stripe

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