CID 24419

Piprocurarium iodide

Structural Information

Molecular Formula
C23H40N2O3
SMILES
CC[N+](C)(CC)CCOCCOC(=O)C(C1=CC=CC=C1)[N+]2(CCCCC2)C
InChI
InChI=1S/C23H40N2O3/c1-5-24(3,6-2)17-18-27-19-20-28-23(26)22(21-13-9-7-10-14-21)25(4)15-11-8-12-16-25/h7,9-10,13-14,22H,5-6,8,11-12,15-20H2,1-4H3/q+2
InChIKey
UQVDQHWKXJHFEN-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)-2-phenylacetyl]oxyethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

392.3039 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.31118 200.1
[M+Na]+ 415.29312 199.5
[M-H]- 391.29662 204.3
[M+NH4]+ 410.33772 211.1
[M+K]+ 431.26706 186.5
[M+H-H2O]+ 375.30116 196.2
[M+HCOO]- 437.30210 214.2
[M+CH3COO]- 451.31775 212.6
[M+Na-2H]- 413.27857 205.8
[M]+ 392.30335 198.0
[M]- 392.30445 198.0
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