CID 214013

Au 2173

Structural Information

Molecular Formula
C23H21NO
SMILES
C1COCCN1CC#CC=C2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C23H21NO/c1-3-9-21-19(7-1)12-13-20-8-2-4-10-22(20)23(21)11-5-6-14-24-15-17-25-18-16-24/h1-4,7-13H,14-18H2
InChIKey
BPSOKPMFJXGMST-UHFFFAOYSA-N
Compound name
4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)but-2-ynyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16232 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16960 189.3
[M+Na]+ 350.15154 202.0
[M+NH4]+ 345.19614 194.2
[M+K]+ 366.12548 190.2
[M-H]- 326.15504 187.5
[M+Na-2H]- 348.13699 192.1
[M]+ 327.16177 190.1
[M]- 327.16287 190.1
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.