CID 3076147

130260-28-5

Structural Information

Molecular Formula
C28H27NO2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)NCC(COC4=CC=CC5=CC=CC=C54)O
InChI
InChI=1S/C28H27NO2/c30-23(19-31-27-15-7-11-20-8-1-4-12-24(20)27)18-29-28-25-13-5-2-9-21(25)16-17-22-10-3-6-14-26(22)28/h1-15,23,28-30H,16-19H2
InChIKey
VZFMIRCCLKXMBJ-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2042 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21148 199.6
[M+Na]+ 432.19342 203.4
[M-H]- 408.19692 207.4
[M+NH4]+ 427.23802 211.0
[M+K]+ 448.16736 200.7
[M+H-H2O]+ 392.20146 192.5
[M+HCOO]- 454.20240 215.3
[M+CH3COO]- 468.21805 207.1
[M+Na-2H]- 430.17887 204.6
[M]+ 409.20365 196.0
[M]- 409.20475 196.0
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.