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 168.5
[M+Na]+ 321.15600 181.6
[M+NH4]+ 316.20060 176.7
[M+K]+ 337.12994 175.1
[M-H]- 297.15950 176.5
[M+Na-2H]- 319.14145 179.1
[M]+ 298.16623 172.7
[M]- 298.16733 172.7
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.