CID 89532783

Ulotaront

Structural Information

Molecular Formula
C9H13NOS
SMILES
CNC[C@H]1C2=C(CCO1)C=CS2
InChI
InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
InChIKey
ABDDQTDRAHXHOC-QMMMGPOBSA-N
Compound name
1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

41247
Patents

183.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 136.2
[M+Na]+ 206.061018 143.6
[M-H]- 182.064524 141.3
[M+NH4]+ 201.105623 158.2
[M+K]+ 222.034958 142.2
[M+H-H2O]+ 166.069060 131.3
[M+HCOO]- 228.070001 153.9
[M+CH3COO]- 242.085651 149.8
[M+Na-2H]- 204.046466 140.8
[M]+ 183.07125142 137.0
[M]- 183.07234858 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe