CID 6914409

1,2-dihydro-3h-benz(e)inden-3-one 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]+ 323.21178 177.3
[M+Na]+ 345.19372 180.9
[M-H]- 321.19722 183.6
[M+NH4]+ 340.23832 193.5
[M+K]+ 361.16766 175.3
[M+H-H2O]+ 305.20176 167.2
[M+HCOO]- 367.20270 195.3
[M+CH3COO]- 381.21835 186.6
[M+Na-2H]- 343.17917 180.0
[M]+ 322.20395 174.0
[M]- 322.20505 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.