CID 3044274

Rmi 61558

Structural Information

Molecular Formula
C29H33N3
SMILES
CCN(CC)C1C2=CC=CC=C2C=C(C3=CC=CC=C13)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C29H33N3/c1-3-30(4-2)29-25-15-9-8-12-23(25)22-28(26-16-10-11-17-27(26)29)32-20-18-31(19-21-32)24-13-6-5-7-14-24/h5-17,22,29H,3-4,18-21H2,1-2H3
InChIKey
GUPUQPLEWBGXMJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-9-(4-phenylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.26746 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.27474 212.8
[M+Na]+ 446.25668 226.9
[M+NH4]+ 441.30128 221.2
[M+K]+ 462.23062 216.7
[M-H]- 422.26018 220.8
[M+Na-2H]- 444.24213 221.1
[M]+ 423.26691 217.4
[M]- 423.26801 217.4
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.