CID 3058674

75463-56-8

Structural Information

Molecular Formula
C19H27N3O
SMILES
CN1CCN(CC1)CC(=O)NC2CCC3=C2C=C4CCCC4=C3
InChI
InChI=1S/C19H27N3O/c1-21-7-9-22(10-8-21)13-19(23)20-18-6-5-16-11-14-3-2-4-15(14)12-17(16)18/h11-12,18H,2-10,13H2,1H3,(H,20,23)
InChIKey
UTLJHBNOCGHPKC-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 177.1
[M+Na]+ 336.20464 180.6
[M-H]- 312.20814 181.6
[M+NH4]+ 331.24924 193.9
[M+K]+ 352.17858 175.8
[M+H-H2O]+ 296.21268 168.4
[M+HCOO]- 358.21362 191.5
[M+CH3COO]- 372.22927 185.8
[M+Na-2H]- 334.19009 174.9
[M]+ 313.21487 171.4
[M]- 313.21597 171.4
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.