CID 165671954

4-[(3r)-3-aminopyrrolidin-1-yl]-n,n,5,6-tetramethylpyrimidine-2-carboxamide

Structural Information

Molecular Formula
C13H21N5O
SMILES
CC1=C(N=C(N=C1N2CC[C@H](C2)N)C(=O)N(C)C)C
InChI
InChI=1S/C13H21N5O/c1-8-9(2)15-11(13(19)17(3)4)16-12(8)18-6-5-10(14)7-18/h10H,5-7,14H2,1-4H3/t10-/m1/s1
InChIKey
LRROWNWLBVMPBH-SNVBAGLBSA-N
Compound name
4-[(3R)-3-aminopyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17462 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.181896 163.8
[M+Na]+ 286.163838 170.9
[M-H]- 262.167344 168.1
[M+NH4]+ 281.208443 178.5
[M+K]+ 302.137778 168.8
[M+H-H2O]+ 246.171880 154.6
[M+HCOO]- 308.172821 183.9
[M+CH3COO]- 322.188471 206.6
[M+Na-2H]- 284.149286 163.1
[M]+ 263.17407142 162.6
[M]- 263.17516858 162.6
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.