CID 6455374

6682-26-4

Structural Information

Molecular Formula
C20H21NO
SMILES
C[N+](C)(CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31)[O-]
InChI
InChI=1S/C20H21NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
InChIKey
CWVULMRJHWMZLY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

291.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.169596 169.7
[M+Na]+ 314.151538 175.2
[M-H]- 290.155044 175.9
[M+NH4]+ 309.196143 186.1
[M+K]+ 330.125478 169.5
[M+H-H2O]+ 274.159580 169.2
[M+HCOO]- 336.160521 189.8
[M+CH3COO]- 350.176171 201.1
[M+Na-2H]- 312.136986 178.9
[M]+ 291.16177142 166.0
[M]- 291.16286858 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe