CID 3088236

1-piperazineacetamide, n-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C23H29N3O
SMILES
CN1CCN(CC1)CC(=O)NCC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C23H29N3O/c1-25-12-14-26(15-13-25)17-23(27)24-16-22-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,22H,10-17H2,1H3,(H,24,27)
InChIKey
DKAOPCDXEIGBHG-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23105 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.23833 191.8
[M+Na]+ 386.22027 202.3
[M+NH4]+ 381.26487 199.0
[M+K]+ 402.19421 194.9
[M-H]- 362.22377 196.1
[M+Na-2H]- 384.20572 196.8
[M]+ 363.23050 194.5
[M]- 363.23160 194.5
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

No patent data available for this compound.