CID 490004

Chembl325272

Structural Information

Molecular Formula
C24H26N4O3
SMILES
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C24H26N4O3/c1-16(2)12-19(15-29)27-23(30)21(28-24(31)22-14-25-10-11-26-22)13-18-8-5-7-17-6-3-4-9-20(17)18/h3-11,14-16,19,21H,12-13H2,1-2H3,(H,27,30)(H,28,31)/t19-,21-/m0/s1
InChIKey
CEKLWWPHVYLUIA-FPOVZHCZSA-N
Compound name
N-[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.2005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 201.3
[M+Na]+ 441.18972 202.7
[M-H]- 417.19322 204.7
[M+NH4]+ 436.23432 207.7
[M+K]+ 457.16366 198.7
[M+H-H2O]+ 401.19776 190.0
[M+HCOO]- 463.19870 217.4
[M+CH3COO]- 477.21435 232.9
[M+Na-2H]- 439.17517 202.6
[M]+ 418.19995 201.3
[M]- 418.20105 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.