CID 23315

5-dimethylaminogramine bis methiodide

Structural Information

Molecular Formula
C15H25N3
SMILES
C[N+](C)(C)CC1=CNC2=C1C=C(C=C2)[N+](C)(C)C
InChI
InChI=1S/C15H25N3/c1-17(2,3)11-12-10-16-15-8-7-13(9-14(12)15)18(4,5)6/h7-10,16H,11H2,1-6H3/q+2
InChIKey
WBAGTVRVWVWQKX-UHFFFAOYSA-N
Compound name
trimethyl-[[5-(trimethylazaniumyl)-1H-indol-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.20485 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.21213 154.0
[M+Na]+ 270.19407 162.0
[M-H]- 246.19757 159.6
[M+NH4]+ 265.23867 173.4
[M+K]+ 286.16801 148.3
[M+H-H2O]+ 230.20211 153.3
[M+HCOO]- 292.20305 176.4
[M+CH3COO]- 306.21870 192.0
[M+Na-2H]- 268.17952 167.6
[M]+ 247.20430 154.3
[M]- 247.20540 154.3
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.