CID 15954418

Schembl7713026

Structural Information

Molecular Formula
C35H33FN4O5
SMILES
C1CNC(=O)[C@@H]1C[C@@H](/C=C/2\CCOC2=O)NC(=O)[C@H](CC3=CC=C(C=C3)F)NC(=O)C4=CC=C(N4)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C35H33FN4O5/c36-25-10-8-21(9-11-25)18-31(34(43)38-26(19-23-14-16-37-32(23)41)20-24-15-17-45-35(24)44)40-33(42)30-13-12-29(39-30)28-7-3-5-22-4-1-2-6-27(22)28/h1-13,20,23,26,31,39H,14-19H2,(H,37,41)(H,38,43)(H,40,42)/b24-20+/t23-,26-,31-/m0/s1
InChIKey
RTRBJHKNRAJBTI-UABCQVTOSA-N
Compound name
N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-naphthalen-1-yl-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

608.24347 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.25075 236.8
[M+Na]+ 631.23269 235.8
[M-H]- 607.23619 247.9
[M+NH4]+ 626.27729 237.5
[M+K]+ 647.20663 230.7
[M+H-H2O]+ 591.24073 226.9
[M+HCOO]- 653.24167 247.9
[M+CH3COO]- 667.25732 240.0
[M+Na-2H]- 629.21814 227.0
[M]+ 608.24292 231.7
[M]- 608.24402 231.7
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