CID 6914409

3h-benz(e)inden-3-one, 1,2-dihydro-, o-(3-(1-piperidinyl)propyl)oxime, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CCN(CC1)CCCO/N=C\2/CCC3=C2C=CC4=CC=CC=C34
InChI
InChI=1S/C21H26N2O/c1-4-13-23(14-5-1)15-6-16-24-22-21-12-11-19-18-8-3-2-7-17(18)9-10-20(19)21/h2-3,7-10H,1,4-6,11-16H2/b22-21-
InChIKey
WAPGEEYMSHHBIY-DQRAZIAOSA-N
Compound name
(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 177.3
[M+Na]+ 345.193718 180.9
[M-H]- 321.197224 183.6
[M+NH4]+ 340.238323 193.5
[M+K]+ 361.167658 175.3
[M+H-H2O]+ 305.201760 167.2
[M+HCOO]- 367.202701 195.3
[M+CH3COO]- 381.218351 186.6
[M+Na-2H]- 343.179166 180.0
[M]+ 322.20395142 174.0
[M]- 322.20504858 174.0
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.