CID 41189

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

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C2C1=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C19H25N3O2/c1-4-22(5-2)12-11-20-19(24)17-13-18(21-14(3)23)16-10-8-6-7-9-15(16)17/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKey
ZPVPLGTYKMIMFM-UHFFFAOYSA-N
Compound name
3-acetamido-N-[2-(diethylamino)ethyl]azulene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 179.0
[M+Na]+ 350.18389 185.3
[M+NH4]+ 345.22849 184.4
[M+K]+ 366.15783 182.8
[M-H]- 326.18739 181.1
[M+Na-2H]- 348.16934 182.4
[M]+ 327.19412 180.1
[M]- 327.19522 180.1
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.