CID 3044290

Rmi 61143

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CNC(=O)CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C22H23N3O2/c1-23-21(26)15-24-10-12-25(13-11-24)20-14-16-6-2-3-7-17(16)22(27)19-9-5-4-8-18(19)20/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKey
YYSXSLBIBQUKKY-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 188.0
[M+Na]+ 384.16824 200.4
[M+NH4]+ 379.21284 194.8
[M+K]+ 400.14218 193.4
[M-H]- 360.17174 192.2
[M+Na-2H]- 382.15369 194.2
[M]+ 361.17847 191.0
[M]- 361.17957 191.0
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.