CID 212989

Lm 2913

Structural Information

Molecular Formula
C21H25N2O
SMILES
C[N+](C)(C)CCCON=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C21H25N2O/c1-23(2,3)15-8-16-24-22-21-19-11-6-4-9-17(19)13-14-18-10-5-7-12-20(18)21/h4-7,9-14H,8,15-16H2,1-3H3/q+1
InChIKey
YLCXJYCLUOJGMG-UHFFFAOYSA-N
Compound name
trimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1967 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.203976 178.6
[M+Na]+ 344.185918 184.9
[M-H]- 320.189424 187.8
[M+NH4]+ 339.230523 195.1
[M+K]+ 360.159858 179.9
[M+H-H2O]+ 304.193960 174.9
[M+HCOO]- 366.194901 202.6
[M+CH3COO]- 380.210551 213.4
[M+Na-2H]- 342.171366 189.8
[M]+ 321.19615142 179.9
[M]- 321.19724858 179.9
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.