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

2
Patents

227.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.149516 152.0
[M+Na]+ 250.131458 161.4
[M-H]- 226.134964 154.9
[M+NH4]+ 245.176063 170.2
[M+K]+ 266.105398 156.1
[M+H-H2O]+ 210.139500 143.5
[M+HCOO]- 272.140441 172.4
[M+CH3COO]- 286.156091 164.2
[M+Na-2H]- 248.116906 155.3
[M]+ 227.14169142 152.1
[M]- 227.14278858 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