CID 250257

6959-78-0

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCOC(=O)CC1=CNC2=C1C=C(C=C2)N(CCO)CCO
InChI
InChI=1S/C16H22N2O4/c1-2-22-16(21)9-12-11-17-15-4-3-13(10-14(12)15)18(5-7-19)6-8-20/h3-4,10-11,17,19-20H,2,5-9H2,1H3
InChIKey
GCMQNVDOHOMSFP-UHFFFAOYSA-N
Compound name
ethyl 2-[5-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 171.5
[M+Na]+ 329.147178 177.4
[M-H]- 305.150684 172.0
[M+NH4]+ 324.191783 186.3
[M+K]+ 345.121118 174.1
[M+H-H2O]+ 289.155220 164.1
[M+HCOO]- 351.156161 191.4
[M+CH3COO]- 365.171811 202.9
[M+Na-2H]- 327.132626 173.6
[M]+ 306.15741142 175.3
[M]- 306.15850858 175.3
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.