CID 65776

Indocate

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H26N2O2/c1-16-17(2)24(15-18-8-6-5-7-9-18)21-11-10-19(14-20(16)21)22(25)26-13-12-23(3)4/h5-11,14H,12-13,15H2,1-4H3
InChIKey
YKWQHMLRAPIWDP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

64
Patents

350.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.3
[M+Na]+ 373.18865 195.4
[M-H]- 349.19215 195.5
[M+NH4]+ 368.23325 202.7
[M+K]+ 389.16259 191.2
[M+H-H2O]+ 333.19669 178.2
[M+HCOO]- 395.19763 210.7
[M+CH3COO]- 409.21328 222.0
[M+Na-2H]- 371.17410 188.1
[M]+ 350.19888 194.1
[M]- 350.19998 194.1
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.