CID 41187

1-(2-(diethylamino)ethyl)-3-nitroazulenecarboxamide hydrochloride

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=C2C1=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H21N3O3/c1-3-19(4-2)11-10-18-17(21)15-12-16(20(22)23)14-9-7-5-6-8-13(14)15/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKey
IWQBSRASEBCBEN-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3-nitroazulene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 176.1
[M+Na]+ 338.14752 184.1
[M+NH4]+ 333.19212 182.0
[M+K]+ 354.12146 183.5
[M-H]- 314.15102 179.3
[M+Na-2H]- 336.13297 179.7
[M]+ 315.15775 177.8
[M]- 315.15885 177.8
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.