CID 5270946

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

Structural Information

Molecular Formula
C21H25N3O4
SMILES
CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)C2=CC3=C(N2)C=CC(=C3)C
InChI
InChI=1S/C21H25N3O4/c1-3-28-19(25)7-5-16(11-14-8-9-22-20(14)26)23-21(27)18-12-15-10-13(2)4-6-17(15)24-18/h4-7,10,12,14,16,24H,3,8-9,11H2,1-2H3,(H,22,26)(H,23,27)/b7-5+/t14?,16-/m1/s1
InChIKey
NUDKXDHNYUAITK-OWAQXUFFSA-N
Compound name
ethyl (E,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1845 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19178 193.2
[M+Na]+ 406.17372 197.3
[M-H]- 382.17722 195.6
[M+NH4]+ 401.21832 204.8
[M+K]+ 422.14766 192.1
[M+H-H2O]+ 366.18176 185.2
[M+HCOO]- 428.18270 209.1
[M+CH3COO]- 442.19835 216.0
[M+Na-2H]- 404.15917 189.0
[M]+ 383.18395 192.4
[M]- 383.18505 192.4
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.