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]+ 384.191776 193.2
[M+Na]+ 406.173718 197.3
[M-H]- 382.177224 195.6
[M+NH4]+ 401.218323 204.8
[M+K]+ 422.147658 192.1
[M+H-H2O]+ 366.181760 185.2
[M+HCOO]- 428.182701 209.1
[M+CH3COO]- 442.198351 216.0
[M+Na-2H]- 404.159166 189.0
[M]+ 383.18395142 192.4
[M]- 383.18504858 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.