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 186.7
[M+Na]+ 384.16824 193.0
[M-H]- 360.17174 194.7
[M+NH4]+ 379.21284 198.3
[M+K]+ 400.14218 192.7
[M+H-H2O]+ 344.17628 177.2
[M+HCOO]- 406.17722 203.2
[M+CH3COO]- 420.19287 196.0
[M+Na-2H]- 382.15369 190.3
[M]+ 361.17847 184.0
[M]- 361.17957 184.0
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.