CID 145874812

Rac-4-[(3r,4s)-3-amino-4-methoxypyrrolidin-1-yl]-n-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C10H17N5O
SMILES
CNC1=NC=CC(=N1)N2C[C@H]([C@H](C2)OC)N
InChI
InChI=1S/C10H17N5O/c1-12-10-13-4-3-9(14-10)15-5-7(11)8(6-15)16-2/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKey
QWBQICZFGVEQGH-SFYZADRCSA-N
Compound name
4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14331 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15059 150.2
[M+Na]+ 246.13253 157.4
[M-H]- 222.13603 152.8
[M+NH4]+ 241.17713 165.6
[M+K]+ 262.10647 154.7
[M+H-H2O]+ 206.14057 140.9
[M+HCOO]- 268.14151 171.5
[M+CH3COO]- 282.15716 193.6
[M+Na-2H]- 244.11798 153.6
[M]+ 223.14276 147.6
[M]- 223.14386 147.6
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.