CID 135867706

Pmb-4

Structural Information

Molecular Formula
C17H22N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)CCCCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C17H20N4O2/c22-18-14-16-4-10-20(11-5-16)8-2-1-3-9-21-12-6-17(7-13-21)15-19-23/h4-7,10-15H,1-3,8-9H2/p+2
InChIKey
RKIJZSCUKNSLSU-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[5-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 172.7
[M+Na]+ 337.16352 188.8
[M+NH4]+ 332.20812 180.7
[M+K]+ 353.13746 182.2
[M-H]- 313.16702 179.5
[M+Na-2H]- 335.14897 182.4
[M]+ 314.17375 177.4
[M]- 314.17485 177.4
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.