CID 3042908

Acetamide, n-(3-((4-methyl-1-piperazinyl)carbonyl)-1-azulenyl)-, hydrochloride

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC(=O)NC1=C2C=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C18H21N3O2/c1-13(22)19-17-12-16(14-6-4-3-5-7-15(14)17)18(23)21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H,19,22)
InChIKey
ATAKQBIXCCDTDI-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazine-1-carbonyl)azulen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 174.0
[M+Na]+ 334.15262 182.8
[M+NH4]+ 329.19722 179.8
[M+K]+ 350.12656 180.2
[M-H]- 310.15612 176.1
[M+Na-2H]- 332.13807 178.3
[M]+ 311.16285 175.6
[M]- 311.16395 175.6
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.