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

328
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 235.5
[M+Na]+ 399.29418 246.6
[M-H]- 375.29768 241.0
[M+NH4]+ 394.33878 239.7
[M+K]+ 415.26812 235.8
[M+H-H2O]+ 359.30222 223.4
[M+HCOO]- 421.30316 251.2
[M+CH3COO]- 435.31881 219.5
[M+Na-2H]- 397.27963 225.2
[M]+ 376.30441 230.1
[M]- 376.30551 230.1
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

patents stripe