CID 135949873

Ad 126a

Structural Information

Molecular Formula
C16H22N4O
SMILES
CN(C)C1=C[N+](=CC=C1)CCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C16H21N4O/c1-18(2)16-5-3-8-20(14-16)10-4-9-19-11-6-15(7-12-19)13-17-21/h3,5-8,11-14H,4,9-10H2,1-2H3/q+1/p+1
InChIKey
FQQCBVMMXZYQRK-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[3-[3-(dimethylamino)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.186626 170.3
[M+Na]+ 309.168568 176.0
[M-H]- 285.172074 175.9
[M+NH4]+ 304.213173 182.5
[M+K]+ 325.142508 161.6
[M+H-H2O]+ 269.176610 165.5
[M+HCOO]- 331.177551 193.2
[M+CH3COO]- 345.193201 196.3
[M+Na-2H]- 307.154016 180.7
[M]+ 286.17880142 169.7
[M]- 286.17989858 169.7
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.