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 189.6
[M+Na]+ 386.22027 192.3
[M-H]- 362.22377 194.7
[M+NH4]+ 381.26487 200.0
[M+K]+ 402.19421 190.2
[M+H-H2O]+ 346.22831 179.6
[M+HCOO]- 408.22925 202.2
[M+CH3COO]- 422.24490 196.6
[M+Na-2H]- 384.20572 191.9
[M]+ 363.23050 182.3
[M]- 363.23160 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.