CID 3069561

84905-61-3

Structural Information

Molecular Formula
C18H28N4
SMILES
C[N+](C)(C)CC1=CNC2=CC3=C(C=C21)C(=CN3)C[N+](C)(C)C
InChI
InChI=1S/C18H28N4/c1-21(2,3)11-13-9-19-17-8-18-16(7-15(13)17)14(10-20-18)12-22(4,5)6/h7-10,19-20H,11-12H2,1-6H3/q+2
InChIKey
JLNJMQOEZSNFFC-UHFFFAOYSA-N
Compound name
trimethyl-[[3-[(trimethylazaniumyl)methyl]-1,7-dihydropyrrolo[3,2-f]indol-5-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.23138 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23866 170.3
[M+Na]+ 323.22060 179.1
[M-H]- 299.22410 174.9
[M+NH4]+ 318.26520 188.4
[M+K]+ 339.19454 163.5
[M+H-H2O]+ 283.22864 169.2
[M+HCOO]- 345.22958 190.7
[M+CH3COO]- 359.24523 199.4
[M+Na-2H]- 321.20605 182.9
[M]+ 300.23083 171.6
[M]- 300.23193 171.6
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

No patent data available for this compound.