CID 47681

Indolizine, 3-(3-(diethylamino)propyl)-2-methyl-

Structural Information

Molecular Formula
C16H24N2
SMILES
CCN(CC)CCCC1=C(C=C2N1C=CC=C2)C
InChI
InChI=1S/C16H24N2/c1-4-17(5-2)11-8-10-16-14(3)13-15-9-6-7-12-18(15)16/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3
InChIKey
SOBJYBWYCRWBKL-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(2-methylindolizin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.19395 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 160.0
[M+Na]+ 267.18317 168.0
[M-H]- 243.18667 164.6
[M+NH4]+ 262.22777 180.0
[M+K]+ 283.15711 164.6
[M+H-H2O]+ 227.19121 152.4
[M+HCOO]- 289.19215 184.6
[M+CH3COO]- 303.20780 202.7
[M+Na-2H]- 265.16862 164.2
[M]+ 244.19340 165.2
[M]- 244.19450 165.2
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

patents stripe