CID 135903114

Ad 126

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 168.9
[M+Na]+ 311.147848 174.8
[M-H]- 287.151354 174.7
[M+NH4]+ 306.192453 180.9
[M+K]+ 327.121788 161.2
[M+H-H2O]+ 271.155890 164.0
[M+HCOO]- 333.156831 192.3
[M+CH3COO]- 347.172481 195.3
[M+Na-2H]- 309.133296 179.9
[M]+ 288.15808142 169.2
[M]- 288.15917858 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.