CID 5270945

Ethyl (e,4s)-4-[(5-methoxy-1h-indole-2-carbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate

Structural Information

Molecular Formula
C21H25N3O5
SMILES
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C21H25N3O5/c1-3-29-19(25)7-4-15(10-13-8-9-22-20(13)26)23-21(27)18-12-14-11-16(28-2)5-6-17(14)24-18/h4-7,11-13,15,24H,3,8-10H2,1-2H3,(H,22,26)(H,23,27)/b7-4+/t13-,15+/m0/s1
InChIKey
VXUAGYYXTQFOHV-ZDSVCRJJSA-N
Compound name
ethyl (E,4S)-4-[(5-methoxy-1H-indole-2-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

399.1794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18668 195.1
[M+Na]+ 422.16862 198.9
[M-H]- 398.17212 197.5
[M+NH4]+ 417.21322 205.8
[M+K]+ 438.14256 194.4
[M+H-H2O]+ 382.17666 187.0
[M+HCOO]- 444.17760 211.1
[M+CH3COO]- 458.19325 218.3
[M+Na-2H]- 420.15407 191.2
[M]+ 399.17885 195.6
[M]- 399.17995 195.6
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.