CID 3041493

Brn 0417987

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CC3CC3C2
InChI
InChI=1S/C16H23N3O/c1-3-16(20)19(15-6-4-5-7-17-15)12(2)9-18-10-13-8-14(13)11-18/h4-7,12-14H,3,8-11H2,1-2H3
InChIKey
MYYSSEYLEQIZNW-UHFFFAOYSA-N
Compound name
N-[1-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 169.6
[M+Na]+ 296.17332 176.2
[M-H]- 272.17682 175.6
[M+NH4]+ 291.21792 181.2
[M+K]+ 312.14726 172.4
[M+H-H2O]+ 256.18136 160.9
[M+HCOO]- 318.18230 188.7
[M+CH3COO]- 332.19795 207.7
[M+Na-2H]- 294.15877 170.4
[M]+ 273.18355 172.3
[M]- 273.18465 172.3
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.