CID 28977

18235-87-5

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CCN(CC)CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C
InChI
InChI=1S/C23H28N2O3/c1-5-24(6-2)14-15-28-23(26)22-17(3)25(18-10-8-7-9-11-18)21-13-12-19(27-4)16-20(21)22/h7-13,16H,5-6,14-15H2,1-4H3
InChIKey
GJPWKSVFJQJZFF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-methoxy-2-methyl-1-phenylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 195.0
[M+Na]+ 403.199218 202.3
[M-H]- 379.202724 202.9
[M+NH4]+ 398.243823 208.9
[M+K]+ 419.173158 198.7
[M+H-H2O]+ 363.207260 185.4
[M+HCOO]- 425.208201 218.1
[M+CH3COO]- 439.223851 227.0
[M+Na-2H]- 401.184666 195.3
[M]+ 380.20945142 203.5
[M]- 380.21054858 203.5
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.