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]+ 258.160076 163.7
[M+Na]+ 280.142018 170.6
[M-H]- 256.145524 168.1
[M+NH4]+ 275.186623 176.8
[M+K]+ 296.115958 155.1
[M+H-H2O]+ 240.150060 159.6
[M+HCOO]- 302.151001 185.4
[M+CH3COO]- 316.166651 185.4
[M+Na-2H]- 278.127466 174.6
[M]+ 257.15225142 162.2
[M]- 257.15334858 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.