CID 3050940

67196-62-7

Structural Information

Molecular Formula
C24H30N2O
SMILES
C1CC2=CC=CC=C2C(=CCCN3CCNC(C3)CCO)C4=CC=CC=C41
InChI
InChI=1S/C24H30N2O/c27-17-13-21-18-26(16-14-25-21)15-5-10-24-22-8-3-1-6-19(22)11-12-20-7-2-4-9-23(20)24/h1-4,6-10,21,25,27H,5,11-18H2
InChIKey
SQVDWAJANAINJB-UHFFFAOYSA-N
Compound name
2-[4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperazin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2358 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 191.3
[M+Na]+ 385.22502 193.8
[M-H]- 361.22852 193.5
[M+NH4]+ 380.26962 200.7
[M+K]+ 401.19896 189.2
[M+H-H2O]+ 345.23306 181.9
[M+HCOO]- 407.23400 200.7
[M+CH3COO]- 421.24965 197.1
[M+Na-2H]- 383.21047 192.6
[M]+ 362.23525 181.9
[M]- 362.23635 181.9
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.