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 187.7
[M+Na]+ 384.16824 193.8
[M-H]- 360.17174 194.2
[M+NH4]+ 379.21284 198.5
[M+K]+ 400.14218 192.2
[M+H-H2O]+ 344.17628 178.2
[M+HCOO]- 406.17722 203.7
[M+CH3COO]- 420.19287 196.3
[M+Na-2H]- 382.15369 191.8
[M]+ 361.17847 183.9
[M]- 361.17957 183.9
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.