CID 31482

Win 29148a

Structural Information

Molecular Formula
C14H17N3
SMILES
CCC1=CN(C2=CC=CC=C21)CC3=NCCN3
InChI
InChI=1S/C14H17N3/c1-2-11-9-17(10-14-15-7-8-16-14)13-6-4-3-5-12(11)13/h3-6,9H,2,7-8,10H2,1H3,(H,15,16)
InChIKey
XGVKWKUUTDUHPI-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 152.1
[M+Na]+ 250.13146 165.5
[M+NH4]+ 245.17606 160.6
[M+K]+ 266.10540 161.5
[M-H]- 226.13496 154.6
[M+Na-2H]- 248.11691 159.0
[M]+ 227.14169 154.6
[M]- 227.14279 154.6
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.