CID 119030874

1820574-47-7

Structural Information

Molecular Formula
C11H18FN3S
SMILES
CC1=C(SC=N1)CN2C[C@H](C[C@H]2CNC)F
InChI
InChI=1S/C11H18FN3S/c1-8-11(16-7-14-8)6-15-5-9(12)3-10(15)4-13-2/h7,9-10,13H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKey
BRAOFWDNFJKUMG-UWVGGRQHSA-N
Compound name
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12054 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12782 153.4
[M+Na]+ 266.10976 161.8
[M-H]- 242.11326 156.8
[M+NH4]+ 261.15436 172.8
[M+K]+ 282.08370 158.5
[M+H-H2O]+ 226.11780 145.5
[M+HCOO]- 288.11874 169.9
[M+CH3COO]- 302.13439 193.9
[M+Na-2H]- 264.09521 150.7
[M]+ 243.11999 153.4
[M]- 243.12109 153.4
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.