CID 3061101

Gn010lc6ls

Structural Information

Molecular Formula
C25H29ClN2O4
SMILES
CCN(CC)CCOC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C25H29ClN2O4/c1-5-27(6-2)13-14-32-24(29)16-21-17(3)28(23-12-11-20(31-4)15-22(21)23)25(30)18-7-9-19(26)10-8-18/h7-12,15H,5-6,13-14,16H2,1-4H3
InChIKey
XVKBQTSYYKTSTH-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

456.18158 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18886 212.6
[M+Na]+ 479.17080 220.4
[M-H]- 455.17430 220.5
[M+NH4]+ 474.21540 224.4
[M+K]+ 495.14474 215.7
[M+H-H2O]+ 439.17884 203.6
[M+HCOO]- 501.17978 229.8
[M+CH3COO]- 515.19543 239.0
[M+Na-2H]- 477.15625 209.8
[M]+ 456.18103 224.6
[M]- 456.18213 224.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe