CID 5489824

Einecs 276-895-9

Structural Information

Molecular Formula
C27H27N2
SMILES
CCN1C2=C(C=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C)C5=CC=CC=C51
InChI
InChI=1S/C27H27N2/c1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4/h6-18H,5H2,1-4H3/q+1
InChIKey
VCIQEEVKSUETCL-UHFFFAOYSA-N
Compound name
9-ethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

379.21744 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22472 202.6
[M+Na]+ 402.20666 214.4
[M-H]- 378.21016 211.0
[M+NH4]+ 397.25126 220.7
[M+K]+ 418.18060 199.6
[M+H-H2O]+ 362.21470 195.2
[M+HCOO]- 424.21564 221.5
[M+CH3COO]- 438.23129 213.1
[M+Na-2H]- 400.19211 205.2
[M]+ 379.21689 206.5
[M]- 379.21799 206.5
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