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 210.0
[M+Na]+ 446.25668 213.5
[M-H]- 422.26018 219.0
[M+NH4]+ 441.30128 218.3
[M+K]+ 462.23062 210.0
[M+H-H2O]+ 406.26472 198.2
[M+HCOO]- 468.26566 223.9
[M+CH3COO]- 482.28131 216.5
[M+Na-2H]- 444.24213 211.6
[M]+ 423.26691 204.5
[M]- 423.26801 204.5
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.