CID 49552

Brn 0709480

Structural Information

Molecular Formula
C24H29N3
SMILES
CN1CCN(CC1)CCCC2(C3=CC=CC=C3CCC4=CC=CC=C42)C#N
InChI
InChI=1S/C24H29N3/c1-26-15-17-27(18-16-26)14-6-13-24(19-25)22-9-4-2-7-20(22)11-12-21-8-3-5-10-23(21)24/h2-5,7-10H,6,11-18H2,1H3
InChIKey
DBNOOSQRIXPXLQ-UHFFFAOYSA-N
Compound name
2-[3-(4-methylpiperazin-1-yl)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23615 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24343 194.2
[M+Na]+ 382.22537 205.6
[M+NH4]+ 377.26997 200.0
[M+K]+ 398.19931 192.6
[M-H]- 358.22887 191.7
[M+Na-2H]- 380.21082 198.0
[M]+ 359.23560 194.7
[M]- 359.23670 194.7
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.