CID 9570708

Gc 49

Structural Information

Molecular Formula
C21H46N4O2
SMILES
CC[N+](C/C=N/C(O)CCCC(O)/N=C/C[N+](CC)(CC)CC)(CC)CC
InChI
InChI=1S/C21H46N4O2/c1-7-24(8-2,9-3)18-16-22-20(26)14-13-15-21(27)23-17-19-25(10-4,11-5)12-6/h16-17,20-21,26-27H,7-15,18-19H2,1-6H3/q+2/b22-16+,23-17+
InChIKey
JWCPNWVFKXCSNR-LKNRODPVSA-N
Compound name
[(2E)-2-[1,5-dihydroxy-5-[(E)-2-(triethylazaniumyl)ethylideneamino]pentyl]iminoethyl]-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.3621 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.36938 246.6
[M+Na]+ 409.35132 258.0
[M-H]- 385.35482 249.5
[M+NH4]+ 404.39592 249.2
[M+K]+ 425.32526 248.6
[M+H-H2O]+ 369.35936 233.7
[M+HCOO]- 431.36030 260.9
[M+CH3COO]- 445.37595 225.9
[M+Na-2H]- 407.33677 235.2
[M]+ 386.36155 241.2
[M]- 386.36265 241.2
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

No patent data available for this compound.