CID 145874296

2375248-21-6

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC1=C(N=C(N=C1N2CC[C@H](C2)N(C)C)C(=O)O)C
InChI
InChI=1S/C13H20N4O2/c1-8-9(2)14-11(13(18)19)15-12(8)17-6-5-10(7-17)16(3)4/h10H,5-7H2,1-4H3,(H,18,19)/t10-/m1/s1
InChIKey
HFQZHBLMRKQZIJ-SNVBAGLBSA-N
Compound name
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 162.2
[M+Na]+ 287.14785 169.5
[M-H]- 263.15135 165.5
[M+NH4]+ 282.19245 176.6
[M+K]+ 303.12179 167.4
[M+H-H2O]+ 247.15589 153.4
[M+HCOO]- 309.15683 180.5
[M+CH3COO]- 323.17248 202.5
[M+Na-2H]- 285.13330 161.6
[M]+ 264.15808 162.2
[M]- 264.15918 162.2
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.