CID 3057379

Brn 0851135

Structural Information

Molecular Formula
C24H31N3O
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CC(C4)N5CCN(CC5)CCO
InChI
InChI=1S/C24H31N3O/c28-16-15-25-11-13-26(14-12-25)21-17-27(18-21)24-22-7-3-1-5-19(22)9-10-20-6-2-4-8-23(20)24/h1-8,21,24,28H,9-18H2
InChIKey
XZHSMJNAPFNFGC-UHFFFAOYSA-N
Compound name
2-[4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.2467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 193.7
[M+Na]+ 400.23592 196.4
[M-H]- 376.23942 198.5
[M+NH4]+ 395.28052 196.1
[M+K]+ 416.20986 195.0
[M+H-H2O]+ 360.24396 178.2
[M+HCOO]- 422.24490 201.6
[M+CH3COO]- 436.26055 199.2
[M+Na-2H]- 398.22137 194.0
[M]+ 377.24615 193.1
[M]- 377.24725 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.