CID 1882365

Sirt1 activator 3

Structural Information

Molecular Formula
C20H25N5O2
SMILES
COCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4CCCC4)N
InChI
InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)
InChIKey
VNOFYGGJZCEPAH-UHFFFAOYSA-N
Compound name
2-amino-N-cyclopentyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

60
Patents

367.20084 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20812 186.0
[M+Na]+ 390.19006 192.7
[M-H]- 366.19356 190.7
[M+NH4]+ 385.23466 199.1
[M+K]+ 406.16400 187.4
[M+H-H2O]+ 350.19810 176.3
[M+HCOO]- 412.19904 205.1
[M+CH3COO]- 426.21469 195.2
[M+Na-2H]- 388.17551 186.8
[M]+ 367.20029 187.3
[M]- 367.20139 187.3
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

patents stripe