CID 3041705

Brn 0354421

Structural Information

Molecular Formula
C19H24N2O6
SMILES
CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)OC)(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C19H24N2O6/c1-5-26-17(23)19(21-12(3)22,18(24)27-6-2)10-13-11-20-16-8-7-14(25-4)9-15(13)16/h7-9,11,20H,5-6,10H2,1-4H3,(H,21,22)
InChIKey
ILCGNNOZOCSUMQ-UHFFFAOYSA-N
Compound name
diethyl 2-acetamido-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.16342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.170696 188.6
[M+Na]+ 399.152638 193.9
[M-H]- 375.156144 190.4
[M+NH4]+ 394.197243 200.9
[M+K]+ 415.126578 192.2
[M+H-H2O]+ 359.160680 181.4
[M+HCOO]- 421.161621 207.1
[M+CH3COO]- 435.177271 217.0
[M+Na-2H]- 397.138086 190.1
[M]+ 376.16287142 195.5
[M]- 376.16396858 195.5
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

patents stripe