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 152.0
[M+Na]+ 250.13146 161.4
[M-H]- 226.13496 154.9
[M+NH4]+ 245.17606 170.2
[M+K]+ 266.10540 156.1
[M+H-H2O]+ 210.13950 143.5
[M+HCOO]- 272.14044 172.4
[M+CH3COO]- 286.15609 164.2
[M+Na-2H]- 248.11691 155.3
[M]+ 227.14169 152.1
[M]- 227.14279 152.1
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