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 199.3
[M+Na]+ 407.24175 202.2
[M-H]- 383.24525 202.3
[M+NH4]+ 402.28635 206.7
[M+K]+ 423.21569 185.1
[M+H-H2O]+ 367.24979 193.1
[M+HCOO]- 429.25073 219.9
[M+CH3COO]- 443.26638 211.1
[M+Na-2H]- 405.22720 207.4
[M]+ 384.25198 200.0
[M]- 384.25308 200.0
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.