CID 24801868

936015-60-0

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)N(CCC1=CNC2=C1C(=CC=C2)OC(=O)C)C(C)C
InChI
InChI=1S/C18H26N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21/h6-8,11-13,19H,9-10H2,1-5H3
InChIKey
ZPAOVGZYDSXCPK-UHFFFAOYSA-N
Compound name
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

302.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 175.9
[M+Na]+ 325.188648 181.7
[M-H]- 301.192154 179.1
[M+NH4]+ 320.233253 192.4
[M+K]+ 341.162588 179.3
[M+H-H2O]+ 285.196690 168.4
[M+HCOO]- 347.197631 195.8
[M+CH3COO]- 361.213281 211.3
[M+Na-2H]- 323.174096 175.1
[M]+ 302.19888142 180.1
[M]- 302.19997858 180.1
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