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]+ 307.16524 171.5
[M+Na]+ 329.14718 177.4
[M-H]- 305.15068 172.0
[M+NH4]+ 324.19178 186.3
[M+K]+ 345.12112 174.1
[M+H-H2O]+ 289.15522 164.1
[M+HCOO]- 351.15616 191.4
[M+CH3COO]- 365.17181 202.9
[M+Na-2H]- 327.13263 173.6
[M]+ 306.15741 175.3
[M]- 306.15851 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.