CID 3044288

Rmi 61195

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CCCCNC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C24H27N3O2/c1-2-3-12-25-24(29)27-15-13-26(14-16-27)22-17-18-8-4-5-9-19(18)23(28)21-11-7-6-10-20(21)22/h4-11,17H,2-3,12-16H2,1H3,(H,25,29)
InChIKey
YWCAAPDBHBNUAW-UHFFFAOYSA-N
Compound name
N-butyl-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

389.21033 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 196.6
[M+Na]+ 412.19955 201.8
[M-H]- 388.20305 202.7
[M+NH4]+ 407.24415 206.4
[M+K]+ 428.17349 199.8
[M+H-H2O]+ 372.20759 186.6
[M+HCOO]- 434.20853 211.8
[M+CH3COO]- 448.22418 204.3
[M+Na-2H]- 410.18500 199.6
[M]+ 389.20978 193.2
[M]- 389.21088 193.2
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.