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]+ 328.201946 180.8
[M+Na]+ 350.183888 184.1
[M-H]- 326.187394 187.8
[M+NH4]+ 345.228493 196.5
[M+K]+ 366.157828 186.6
[M+H-H2O]+ 310.191930 173.6
[M+HCOO]- 372.192871 205.4
[M+CH3COO]- 386.208521 221.2
[M+Na-2H]- 348.169336 181.8
[M]+ 327.19412142 181.7
[M]- 327.19521858 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.