CID 71496

Hexcarbacholine bromide

Structural Information

Molecular Formula
C18H40N4O4
SMILES
C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C18H38N4O4/c1-21(2,3)13-15-25-17(23)19-11-9-7-8-10-12-20-18(24)26-16-14-22(4,5)6/h7-16H2,1-6H3/p+2
InChIKey
MBWXZXUOKTXXBU-UHFFFAOYSA-P
Compound name
trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

324
Patents

376.30496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.31224 217.1
[M+Na]+ 399.29418 222.1
[M+NH4]+ 394.33878 224.2
[M+K]+ 415.26812 227.3
[M-H]- 375.29768 211.2
[M+Na-2H]- 397.27963 209.2
[M]+ 376.30441 217.7
[M]- 376.30551 217.7
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