CID 121519

1676-51-3

Structural Information

Molecular Formula
C19H33N2O
SMILES
CC1CC([N+](C1)(C)CCN2C(=CC(=CC(C2=O)C)C)C)(C)C
InChI
InChI=1S/C19H33N2O/c1-14-10-16(3)18(22)20(17(4)11-14)8-9-21(7)13-15(2)12-19(21,5)6/h10-11,15-16H,8-9,12-13H2,1-7H3/q+1
InChIKey
KGSJKMLLYXBMPA-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-[2-(1,2,2,4-tetramethylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.25928 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.26656 166.3
[M+Na]+ 328.24850 173.4
[M-H]- 304.25200 172.1
[M+NH4]+ 323.29310 184.2
[M+K]+ 344.22244 167.4
[M+H-H2O]+ 288.25654 161.6
[M+HCOO]- 350.25748 182.3
[M+CH3COO]- 364.27313 204.3
[M+Na-2H]- 326.23395 167.4
[M]+ 305.25873 163.3
[M]- 305.25983 163.3
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.