CID 212633

Ethylenediamine, n'-5h-dibenzo(a,d)cyclohepten-5-ylidene-n,n-dimethyl-, n'-oxide, monoperchlorate

Structural Information

Molecular Formula
C19H20N2O
SMILES
CN(C)CC[N+](=C1C2=CC=CC=C2C=CC3=CC=CC=C31)[O-]
InChI
InChI=1S/C19H20N2O/c1-20(2)13-14-21(22)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-12H,13-14H2,1-2H3
InChIKey
LIIQQNOCGQODED-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.5
[M+Na]+ 315.14678 174.9
[M-H]- 291.15028 177.3
[M+NH4]+ 310.19138 185.8
[M+K]+ 331.12072 171.3
[M+H-H2O]+ 275.15482 167.9
[M+HCOO]- 337.15576 193.3
[M+CH3COO]- 351.17141 206.0
[M+Na-2H]- 313.13223 177.8
[M]+ 292.15701 167.6
[M]- 292.15811 167.6
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.