CID 3063147

100027-33-6

Structural Information

Molecular Formula
C21H27N2O
SMILES
CC[N+]1(CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H27N2O/c1-3-23(2)16-14-22(15-17-23)21(24)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,3,14-17H2,1-2H3/q+1
InChIKey
IHQHIASSUADKBM-UHFFFAOYSA-N
Compound name
1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.21234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21962 181.9
[M+Na]+ 346.20156 184.8
[M-H]- 322.20506 187.5
[M+NH4]+ 341.24616 193.9
[M+K]+ 362.17550 174.4
[M+H-H2O]+ 306.20960 173.6
[M+HCOO]- 368.21054 196.0
[M+CH3COO]- 382.22619 201.3
[M+Na-2H]- 344.18701 185.6
[M]+ 323.21179 175.6
[M]- 323.21289 175.6
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.