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]+ 322.203976 177.7
[M+Na]+ 344.185918 183.8
[M-H]- 320.189424 187.0
[M+NH4]+ 339.230523 194.2
[M+K]+ 360.159858 179.4
[M+H-H2O]+ 304.193960 174.3
[M+HCOO]- 366.194901 200.8
[M+CH3COO]- 380.210551 214.0
[M+Na-2H]- 342.171366 188.0
[M]+ 321.19615142 178.5
[M]- 321.19724858 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.