CID 203938

Brn 1331210

Structural Information

Molecular Formula
C21H30N4O3
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C(=O)C=C2)NC(=O)CN3CCCCC3
InChI
InChI=1S/C21H30N4O3/c26-19-10-8-17(22-20(27)15-24-11-3-1-4-12-24)7-9-18(19)23-21(28)16-25-13-5-2-6-14-25/h7-10H,1-6,11-16H2,(H,22,27)(H,23,26,28)
InChIKey
TUKFQEFJMFJJQV-UHFFFAOYSA-N
Compound name
N-[5-oxo-4-[(2-piperidin-1-ylacetyl)amino]cyclohepta-1,3,6-trien-1-yl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.23178 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23906 193.4
[M+Na]+ 409.22100 191.4
[M-H]- 385.22450 198.8
[M+NH4]+ 404.26560 199.6
[M+K]+ 425.19494 192.8
[M+H-H2O]+ 369.22904 181.6
[M+HCOO]- 431.22998 206.3
[M+CH3COO]- 445.24563 222.6
[M+Na-2H]- 407.20645 191.7
[M]+ 386.23123 182.3
[M]- 386.23233 182.3
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.