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]+ 377.17070 188.6
[M+Na]+ 399.15264 193.9
[M-H]- 375.15614 190.4
[M+NH4]+ 394.19724 200.9
[M+K]+ 415.12658 192.2
[M+H-H2O]+ 359.16068 181.4
[M+HCOO]- 421.16162 207.1
[M+CH3COO]- 435.17727 217.0
[M+Na-2H]- 397.13809 190.1
[M]+ 376.16287 195.5
[M]- 376.16397 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