CID 393486

Nsc695556

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-3-23(4-2)14-15-26-22(25)21-16-19-12-8-9-13-20(19)24(21)17-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3
InChIKey
ICKNGNRDQQLPMM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-benzylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.19943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.4
[M+Na]+ 373.18865 193.6
[M-H]- 349.19215 194.7
[M+NH4]+ 368.23325 202.1
[M+K]+ 389.16259 189.3
[M+H-H2O]+ 333.19669 177.7
[M+HCOO]- 395.19763 210.7
[M+CH3COO]- 409.21328 219.6
[M+Na-2H]- 371.17410 189.5
[M]+ 350.19888 193.3
[M]- 350.19998 193.3
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.