CID 212572

Lm 2930

Structural Information

Molecular Formula
C22H27N2O
SMILES
CC[N+](C)(C)C(C)CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C22H27N2O/c1-5-24(3,4)17(2)16-25-23-22-20-12-8-6-10-18(20)14-15-19-11-7-9-13-21(19)22/h6-15,17H,5,16H2,1-4H3/q+1
InChIKey
RWXWPBKWUMYZHT-UHFFFAOYSA-N
Compound name
ethyl-dimethyl-[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

335.21234 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21962 182.4
[M+Na]+ 358.20156 188.0
[M-H]- 334.20506 191.5
[M+NH4]+ 353.24616 198.3
[M+K]+ 374.17550 183.5
[M+H-H2O]+ 318.20960 178.7
[M+HCOO]- 380.21054 205.2
[M+CH3COO]- 394.22619 216.8
[M+Na-2H]- 356.18701 192.1
[M]+ 335.21179 183.5
[M]- 335.21289 183.5
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.