CID 135906867

Bdb 20

Structural Information

Molecular Formula
C15H19N3O
SMILES
CC1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C15H18N3O/c1-14-3-9-17(10-4-14)7-2-8-18-11-5-15(6-12-18)13-16-19/h3-6,9-13H,2,7-8H2,1H3/q+1/p+1
InChIKey
SCQPIVNNERDGNI-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[3-(4-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 158.1
[M+Na]+ 280.14202 176.5
[M+NH4]+ 275.18662 167.9
[M+K]+ 296.11596 169.3
[M-H]- 256.14552 165.6
[M+Na-2H]- 278.12747 169.3
[M]+ 257.15225 163.6
[M]- 257.15335 163.6
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.