CID 3044285

Rmi 61211

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CN(C)C(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C22H23N3O2/c1-23(2)22(27)25-13-11-24(12-14-25)20-15-16-7-3-4-8-17(16)21(26)19-10-6-5-9-18(19)20/h3-10,15H,11-14H2,1-2H3
InChIKey
MKWBXDDFJMFZGN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 187.0
[M+Na]+ 384.16824 199.5
[M+NH4]+ 379.21284 193.9
[M+K]+ 400.14218 193.0
[M-H]- 360.17174 191.5
[M+Na-2H]- 382.15369 193.5
[M]+ 361.17847 190.1
[M]- 361.17957 190.1
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

No patent data available for this compound.