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 163.7
[M+Na]+ 280.14202 170.6
[M-H]- 256.14552 168.1
[M+NH4]+ 275.18662 176.8
[M+K]+ 296.11596 155.1
[M+H-H2O]+ 240.15006 159.6
[M+HCOO]- 302.15100 185.4
[M+CH3COO]- 316.16665 185.4
[M+Na-2H]- 278.12747 174.6
[M]+ 257.15225 162.2
[M]- 257.15335 162.2
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.