CID 135434116

Pyridinium, 1-(4-(4-(aminocarbonyl)pyridinio)-2-butenyl)-2-((hydroxyimino)methyl)-, dibromide

Structural Information

Molecular Formula
C16H18N4O2
SMILES
C1=CC=[N+](C(=C1)/C=N/O)C/C=C/C[N+]2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C16H16N4O2/c17-16(21)14-6-11-19(12-7-14)8-3-4-10-20-9-2-1-5-15(20)13-18-22/h1-7,9,11-13H,8,10H2,(H-,17,21)/p+2/b4-3+
InChIKey
NZOOMRXVDFWWRQ-ONEGZZNKSA-P
Compound name
1-[(E)-4-[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]but-2-enyl]pyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14297 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 172.1
[M+Na]+ 321.13219 177.8
[M-H]- 297.13569 175.9
[M+NH4]+ 316.17679 182.6
[M+K]+ 337.10613 161.5
[M+H-H2O]+ 281.14023 167.5
[M+HCOO]- 343.14117 193.4
[M+CH3COO]- 357.15682 192.3
[M+Na-2H]- 319.11764 181.2
[M]+ 298.14242 168.5
[M]- 298.14352 168.5
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.