CID 27781

Rmi 60881

Structural Information

Molecular Formula
C22H24N2O
SMILES
CC(C)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C22H24N2O/c1-16(2)23-11-13-24(14-12-23)21-15-17-7-3-4-8-18(17)22(25)20-10-6-5-9-19(20)21/h3-10,15-16H,11-14H2,1-2H3
InChIKey
ABFLKHUFAVIKKA-UHFFFAOYSA-N
Compound name
9-(4-propan-2-ylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 181.0
[M+Na]+ 355.17809 187.7
[M-H]- 331.18159 187.5
[M+NH4]+ 350.22269 193.4
[M+K]+ 371.15203 185.4
[M+H-H2O]+ 315.18613 172.1
[M+HCOO]- 377.18707 195.7
[M+CH3COO]- 391.20272 190.3
[M+Na-2H]- 353.16354 184.4
[M]+ 332.18832 177.1
[M]- 332.18942 177.1
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

patents stripe