CID 3075324

174752-84-2

Structural Information

Molecular Formula
C16H20N5O
SMILES
CN(C)N=NC1=CC=CC(=C1)NC(=O)CC[N+]2=CC=CC=C2
InChI
InChI=1S/C16H19N5O/c1-20(2)19-18-15-8-6-7-14(13-15)17-16(22)9-12-21-10-4-3-5-11-21/h3-8,10-11,13H,9,12H2,1-2H3/p+1
InChIKey
SZEYPSRCMKYMJZ-UHFFFAOYSA-O
Compound name
N-[3-(dimethylaminodiazenyl)phenyl]-3-pyridin-1-ium-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17406 169.9
[M+Na]+ 321.15600 174.0
[M-H]- 297.15950 179.0
[M+NH4]+ 316.20060 183.6
[M+K]+ 337.12994 166.9
[M+H-H2O]+ 281.16404 161.7
[M+HCOO]- 343.16498 198.9
[M+CH3COO]- 357.18063 212.9
[M+Na-2H]- 319.14145 179.3
[M]+ 298.16623 170.5
[M]- 298.16733 170.5
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.