CID 107752

81608-27-7

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O
InChI
InChI=1S/C15H19N3O2/c1-10(2)17-8-12(19)9-20-15-5-3-4-14-13(15)6-11(7-16)18-14/h3-6,10,12,17-19H,8-9H2,1-2H3
InChIKey
ZDFQDGBLPBGVBY-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

244
References

45
Patents

273.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 165.4
[M+Na]+ 296.13696 174.7
[M+NH4]+ 291.18156 168.3
[M+K]+ 312.11090 167.9
[M-H]- 272.14046 158.4
[M+Na-2H]- 294.12241 166.1
[M]+ 273.14719 163.6
[M]- 273.14829 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe