CID 212574

Lm 2917

Structural Information

Molecular Formula
C21H25N2O
SMILES
CC(CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31)[N+](C)(C)C
InChI
InChI=1S/C21H25N2O/c1-16(23(2,3)4)15-24-22-21-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-14,16H,15H2,1-4H3/q+1
InChIKey
CHUURTGNUSCTFY-UHFFFAOYSA-N
Compound name
trimethyl-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1967 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20398 177.7
[M+Na]+ 344.18592 183.8
[M-H]- 320.18942 187.0
[M+NH4]+ 339.23052 194.2
[M+K]+ 360.15986 179.4
[M+H-H2O]+ 304.19396 174.3
[M+HCOO]- 366.19490 200.8
[M+CH3COO]- 380.21055 214.0
[M+Na-2H]- 342.17137 188.0
[M]+ 321.19615 178.5
[M]- 321.19725 178.5
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.