CID 135914414

Pro 463

Structural Information

Molecular Formula
C22H32N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)CCCCCCCCCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C22H30N4O2/c27-23-19-21-9-15-25(16-10-21)13-7-5-3-1-2-4-6-8-14-26-17-11-22(12-18-26)20-24-28/h9-12,15-20H,1-8,13-14H2/p+2
InChIKey
PPPVSNSJGIMQJF-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[10-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25253 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.25981 195.2
[M+Na]+ 407.24175 210.3
[M+NH4]+ 402.28635 202.3
[M+K]+ 423.21569 202.4
[M-H]- 383.24525 201.8
[M+Na-2H]- 405.22720 203.5
[M]+ 384.25198 199.7
[M]- 384.25308 199.7
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.