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]+ 314.222696 177.1
[M+Na]+ 336.204638 180.6
[M-H]- 312.208144 181.6
[M+NH4]+ 331.249243 193.9
[M+K]+ 352.178578 175.8
[M+H-H2O]+ 296.212680 168.4
[M+HCOO]- 358.213621 191.5
[M+CH3COO]- 372.229271 185.8
[M+Na-2H]- 334.190086 174.9
[M]+ 313.21487142 171.4
[M]- 313.21596858 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.