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 179.9
[M+Na]+ 350.15154 188.1
[M-H]- 326.15504 184.2
[M+NH4]+ 345.19614 190.5
[M+K]+ 366.12548 180.6
[M+H-H2O]+ 310.15958 166.6
[M+HCOO]- 372.16052 189.6
[M+CH3COO]- 386.17617 187.2
[M+Na-2H]- 348.13699 183.2
[M]+ 327.16177 169.2
[M]- 327.16287 169.2
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.