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]+ 381.21728 195.0
[M+Na]+ 403.19922 202.3
[M-H]- 379.20272 202.9
[M+NH4]+ 398.24382 208.9
[M+K]+ 419.17316 198.7
[M+H-H2O]+ 363.20726 185.4
[M+HCOO]- 425.20820 218.1
[M+CH3COO]- 439.22385 227.0
[M+Na-2H]- 401.18467 195.3
[M]+ 380.20945 203.5
[M]- 380.21055 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.