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]+ 322.20398 178.6
[M+Na]+ 344.18592 184.9
[M-H]- 320.18942 187.8
[M+NH4]+ 339.23052 195.1
[M+K]+ 360.15986 179.9
[M+H-H2O]+ 304.19396 174.9
[M+HCOO]- 366.19490 202.6
[M+CH3COO]- 380.21055 213.4
[M+Na-2H]- 342.17137 189.8
[M]+ 321.19615 179.9
[M]- 321.19725 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.