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]+ 265.165906 162.2
[M+Na]+ 287.147848 169.5
[M-H]- 263.151354 165.5
[M+NH4]+ 282.192453 176.6
[M+K]+ 303.121788 167.4
[M+H-H2O]+ 247.155890 153.4
[M+HCOO]- 309.156831 180.5
[M+CH3COO]- 323.172481 202.5
[M+Na-2H]- 285.133296 161.6
[M]+ 264.15808142 162.2
[M]- 264.15917858 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.