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]+ 324.219616 181.9
[M+Na]+ 346.201558 184.8
[M-H]- 322.205064 187.5
[M+NH4]+ 341.246163 193.9
[M+K]+ 362.175498 174.4
[M+H-H2O]+ 306.209600 173.6
[M+HCOO]- 368.210541 196.0
[M+CH3COO]- 382.226191 201.3
[M+Na-2H]- 344.187006 185.6
[M]+ 323.21179142 175.6
[M]- 323.21288858 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.