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]+ 264.18190 163.8
[M+Na]+ 286.16384 170.9
[M-H]- 262.16734 168.1
[M+NH4]+ 281.20844 178.5
[M+K]+ 302.13778 168.8
[M+H-H2O]+ 246.17188 154.6
[M+HCOO]- 308.17282 183.9
[M+CH3COO]- 322.18847 206.6
[M+Na-2H]- 284.14929 163.1
[M]+ 263.17407 162.6
[M]- 263.17517 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.