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

9
Patents

390.3974 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.40468 205.0
[M+Na]+ 413.38662 205.9
[M-H]- 389.39012 209.2
[M+NH4]+ 408.43122 217.5
[M+K]+ 429.36056 191.2
[M+H-H2O]+ 373.39466 202.0
[M+HCOO]- 435.39560 224.4
[M+CH3COO]- 449.41125 227.1
[M+Na-2H]- 411.37207 211.3
[M]+ 390.39685 209.2
[M]- 390.39795 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