CID 60848

Atevirdine

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3
InChIKey
UCPOMLWZWRTIAA-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

2639
Patents

379.20084 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20812 191.8
[M+Na]+ 402.19006 197.8
[M-H]- 378.19356 195.8
[M+NH4]+ 397.23466 199.5
[M+K]+ 418.16400 190.9
[M+H-H2O]+ 362.19810 179.9
[M+HCOO]- 424.19904 206.3
[M+CH3COO]- 438.21469 199.3
[M+Na-2H]- 400.17551 193.0
[M]+ 379.20029 189.8
[M]- 379.20139 189.8
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