CID 6328226

Ammonium, (2-((3-chloro-5h-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)ethyl)trimethyl-, iodide

Structural Information

Molecular Formula
C20H22ClN2O
SMILES
C[N+](C)(C)CCO/N=C\1/C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN2O/c1-23(2,3)12-13-24-22-20-18-7-5-4-6-15(18)8-9-16-10-11-17(21)14-19(16)20/h4-11,14H,12-13H2,1-3H3/q+1/b22-20-
InChIKey
HBPWBMIMDKTYED-XDOYNYLZSA-N
Compound name
2-[(Z)-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)amino]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14206 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14934 181.8
[M+Na]+ 364.13128 190.7
[M-H]- 340.13478 190.9
[M+NH4]+ 359.17588 198.7
[M+K]+ 380.10522 184.7
[M+H-H2O]+ 324.13932 178.4
[M+HCOO]- 386.14026 201.9
[M+CH3COO]- 400.15591 215.0
[M+Na-2H]- 362.11673 192.3
[M]+ 341.14151 185.4
[M]- 341.14261 185.4
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.