CID 109178

68140-79-4

Structural Information

Molecular Formula
C22H27N2O
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCO)C)C
InChI
InChI=1S/C22H27N2O/c1-22(2)19-7-5-6-8-20(19)24(4)21(22)14-11-17-9-12-18(13-10-17)23(3)15-16-25/h5-14,25H,15-16H2,1-4H3/q+1
InChIKey
BERBTOSURUZVNH-UHFFFAOYSA-N
Compound name
2-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

335.21234 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21962 185.8
[M+Na]+ 358.20156 193.7
[M-H]- 334.20506 192.7
[M+NH4]+ 353.24616 202.9
[M+K]+ 374.17550 182.4
[M+H-H2O]+ 318.20960 180.2
[M+HCOO]- 380.21054 206.7
[M+CH3COO]- 394.22619 209.5
[M+Na-2H]- 356.18701 189.8
[M]+ 335.21179 187.6
[M]- 335.21289 187.6
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

patents stripe