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]+ 328.169596 179.9
[M+Na]+ 350.151538 188.1
[M-H]- 326.155044 184.2
[M+NH4]+ 345.196143 190.5
[M+K]+ 366.125478 180.6
[M+H-H2O]+ 310.159580 166.6
[M+HCOO]- 372.160521 189.6
[M+CH3COO]- 386.176171 187.2
[M+Na-2H]- 348.136986 183.2
[M]+ 327.16177142 169.2
[M]- 327.16286858 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.