CID 109597

68134-36-1

Structural Information

Molecular Formula
C22H26ClN2O
SMILES
CC1(C2=C(C=CC(=C2)Cl)[N+](=C1C=CC3=CC=C(C=C3)N(C)CCO)C)C
InChI
InChI=1S/C22H26ClN2O/c1-22(2)19-15-17(23)8-11-20(19)25(4)21(22)12-7-16-5-9-18(10-6-16)24(3)13-14-26/h5-12,15,26H,13-14H2,1-4H3/q+1
InChIKey
NVIFSHLPLBEZFC-UHFFFAOYSA-N
Compound name
2-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

369.17337 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18065 192.7
[M+Na]+ 392.16259 202.0
[M-H]- 368.16609 199.5
[M+NH4]+ 387.20719 209.5
[M+K]+ 408.13653 189.3
[M+H-H2O]+ 352.17063 187.8
[M+HCOO]- 414.17157 208.9
[M+CH3COO]- 428.18722 214.2
[M+Na-2H]- 390.14804 195.4
[M]+ 369.17282 197.0
[M]- 369.17392 197.0
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.