CID 216238

Nolomirole hydrochloride

Structural Information

Molecular Formula
C19H27NO4
SMILES
CC(C)C(=O)OC1=C(C2=C(CC(CC2)NC)C=C1)OC(=O)C(C)C
InChI
InChI=1S/C19H27NO4/c1-11(2)18(21)23-16-9-6-13-10-14(20-5)7-8-15(13)17(16)24-19(22)12(3)4/h6,9,11-12,14,20H,7-8,10H2,1-5H3
InChIKey
OMMYLOLVPCCZQZ-UHFFFAOYSA-N
Compound name
[6-(methylamino)-1-(2-methylpropanoyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1896
Patents

333.194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 180.0
[M+Na]+ 356.18322 183.5
[M-H]- 332.18672 183.4
[M+NH4]+ 351.22782 194.5
[M+K]+ 372.15716 182.4
[M+H-H2O]+ 316.19126 173.0
[M+HCOO]- 378.19220 196.3
[M+CH3COO]- 392.20785 217.0
[M+Na-2H]- 354.16867 177.9
[M]+ 333.19345 181.5
[M]- 333.19455 181.5
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