CID 11793

Paramyon

Structural Information

Molecular Formula
C24H38N2
SMILES
CCC(C1=CC=C(C=C1)[N+](C)(C)C)C(CC)C2=CC=C(C=C2)[N+](C)(C)C
InChI
InChI=1S/C24H38N2/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8/h11-18,23-24H,9-10H2,1-8H3/q+2
InChIKey
LUDGPHGYGLFGBB-UHFFFAOYSA-N
Compound name
trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.3035 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.31078 187.5
[M+Na]+ 377.29272 190.5
[M-H]- 353.29622 196.2
[M+NH4]+ 372.33732 201.1
[M+K]+ 393.26666 176.8
[M+H-H2O]+ 337.30076 184.6
[M+HCOO]- 399.30170 207.0
[M+CH3COO]- 413.31735 218.6
[M+Na-2H]- 375.27817 194.5
[M]+ 354.30295 187.5
[M]- 354.30405 187.5
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

No patent data available for this compound.