CID 3048093

In 208

Structural Information

Molecular Formula
C25H39N3
SMILES
CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C25H38N3/c1-21-25-23(22-15-11-12-16-24(22)26-25)17-19-27(21)18-13-9-7-5-6-8-10-14-20-28(2,3)4/h11-12,15-17,19H,5-10,13-14,18,20H2,1-4H3/q+1/p+1
InChIKey
MSEIWKDNJIJRQW-UHFFFAOYSA-O
Compound name
trimethyl-[10-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)decyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.3144 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.32168 203.2
[M+Na]+ 404.30362 208.7
[M-H]- 380.30712 205.4
[M+NH4]+ 399.34822 216.0
[M+K]+ 420.27756 190.7
[M+H-H2O]+ 364.31166 199.1
[M+HCOO]- 426.31260 219.6
[M+CH3COO]- 440.32825 215.1
[M+Na-2H]- 402.28907 211.1
[M]+ 381.31385 206.1
[M]- 381.31495 206.1
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.