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 180.8
[M+Na]+ 350.18389 184.1
[M-H]- 326.18739 187.8
[M+NH4]+ 345.22849 196.5
[M+K]+ 366.15783 186.6
[M+H-H2O]+ 310.19193 173.6
[M+HCOO]- 372.19287 205.4
[M+CH3COO]- 386.20852 221.2
[M+Na-2H]- 348.16934 181.8
[M]+ 327.19412 181.7
[M]- 327.19522 181.7
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.