CID 59670

Votracon

Structural Information

Molecular Formula
C18H27N3O
SMILES
CN(C1CCN(C1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3
InChIKey
BCZLLYRBOISBCG-UHFFFAOYSA-N
Compound name
4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

301.21542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 173.9
[M+Na]+ 324.20464 174.9
[M-H]- 300.20814 181.5
[M+NH4]+ 319.24924 188.2
[M+K]+ 340.17858 172.0
[M+H-H2O]+ 284.21268 164.2
[M+HCOO]- 346.21362 191.8
[M+CH3COO]- 360.22927 210.5
[M+Na-2H]- 322.19009 171.3
[M]+ 301.21487 165.5
[M]- 301.21597 165.5
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

patents stripe