CID 58761

101710-67-2

Structural Information

Molecular Formula
C26H50N2
SMILES
CCC[N+](CCC)(CCC)CC1=CC=C(C=C1)C[N+](CCC)(CCC)CCC
InChI
InChI=1S/C26H50N2/c1-7-17-27(18-8-2,19-9-3)23-25-13-15-26(16-14-25)24-28(20-10-4,21-11-5)22-12-6/h13-16H,7-12,17-24H2,1-6H3/q+2
InChIKey
YPBYDVPCCVYLBK-UHFFFAOYSA-N
Compound name
tripropyl-[[4-[(tripropylazaniumyl)methyl]phenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.3974 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.404676 205.0
[M+Na]+ 413.386618 205.9
[M-H]- 389.390124 209.2
[M+NH4]+ 408.431223 217.5
[M+K]+ 429.360558 191.2
[M+H-H2O]+ 373.394660 202.0
[M+HCOO]- 435.395601 224.4
[M+CH3COO]- 449.411251 227.1
[M+Na-2H]- 411.372066 211.3
[M]+ 390.39685142 209.2
[M]- 390.39794858 209.2
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