CID 57999

Ammonium, (1,5-naphthylenebis(iminocarbonylmethylene))bis((2-hydroxyethyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C22H34N4O4
SMILES
C[N+](C)(CCO)CC(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)C[N+](C)(C)CCO
InChI
InChI=1S/C22H32N4O4/c1-25(2,11-13-27)15-21(29)23-19-9-5-8-18-17(19)7-6-10-20(18)24-22(30)16-26(3,4)12-14-28/h5-10,27-28H,11-16H2,1-4H3/p+2
InChIKey
NVMMJDPYELBBRB-UHFFFAOYSA-P
Compound name
2-hydroxyethyl-[2-[[5-[[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]amino]naphthalen-1-yl]amino]-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.258 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.26528 193.5
[M+Na]+ 441.24722 194.4
[M-H]- 417.25072 197.0
[M+NH4]+ 436.29182 203.1
[M+K]+ 457.22116 181.3
[M+H-H2O]+ 401.25526 191.0
[M+HCOO]- 463.25620 212.1
[M+CH3COO]- 477.27185 223.1
[M+Na-2H]- 439.23267 204.3
[M]+ 418.25745 192.7
[M]- 418.25855 192.7
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.