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]+ 363.243076 191.3
[M+Na]+ 385.225018 193.8
[M-H]- 361.228524 193.5
[M+NH4]+ 380.269623 200.7
[M+K]+ 401.198958 189.2
[M+H-H2O]+ 345.233060 181.9
[M+HCOO]- 407.234001 200.7
[M+CH3COO]- 421.249651 197.1
[M+Na-2H]- 383.210466 192.6
[M]+ 362.23525142 181.9
[M]- 362.23634858 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.