CID 135934740

Ad 126c

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CN(C)C1=C[N+](=CC=C1)COC[N+]2=CC=CC=C2/C=N/O
InChI
InChI=1S/C15H19N4O2/c1-17(2)15-7-5-8-18(11-15)12-21-13-19-9-4-3-6-14(19)10-16-20/h3-11H,12-13H2,1-2H3/q+1/p+1
InChIKey
KILZKEOYVVXALY-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[[3-(dimethylamino)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 168.9
[M+Na]+ 311.14785 174.8
[M-H]- 287.15135 174.7
[M+NH4]+ 306.19245 180.9
[M+K]+ 327.12179 161.2
[M+H-H2O]+ 271.15589 164.0
[M+HCOO]- 333.15683 192.3
[M+CH3COO]- 347.17248 195.3
[M+Na-2H]- 309.13330 179.9
[M]+ 288.15808 169.2
[M]- 288.15918 169.2
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.