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]+ 287.18663 170.3
[M+Na]+ 309.16857 176.0
[M-H]- 285.17207 175.9
[M+NH4]+ 304.21317 182.5
[M+K]+ 325.14251 161.6
[M+H-H2O]+ 269.17661 165.5
[M+HCOO]- 331.17755 193.2
[M+CH3COO]- 345.19320 196.3
[M+Na-2H]- 307.15402 180.7
[M]+ 286.17880 169.7
[M]- 286.17990 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.