CID 135878016

Ad 128

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC(C)(C)C1=CC=[N+](C=C1)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C17H22N3O2/c1-17(2,3)16-6-10-20(11-7-16)14-22-13-19-8-4-15(5-9-19)12-18-21/h4-12H,13-14H2,1-3H3/q+1/p+1
InChIKey
ZSLSCRQRKRVLPE-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[(4-tert-butylpyridin-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

301.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 169.7
[M+Na]+ 324.16824 186.8
[M+NH4]+ 319.21284 178.3
[M+K]+ 340.14218 181.0
[M-H]- 300.17174 176.0
[M+Na-2H]- 322.15369 179.9
[M]+ 301.17847 174.7
[M]- 301.17957 174.7
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.