CID 464560

Nevirapin 2,4-disubstituted deriv. 11e

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CCN1C2=C(C=CC=N2)C(=O)NC3=C1N=C(C=C3CO)OC
InChI
InChI=1S/C15H16N4O3/c1-3-19-13-10(5-4-6-16-13)15(21)18-12-9(8-20)7-11(22-2)17-14(12)19/h4-7,20H,3,8H2,1-2H3,(H,18,21)
InChIKey
JYDIPPPAHISWJQ-UHFFFAOYSA-N
Compound name
2-ethyl-7-(hydroxymethyl)-5-methoxy-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.12225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 170.9
[M+Na]+ 323.11147 180.5
[M-H]- 299.11497 170.7
[M+NH4]+ 318.15607 181.5
[M+K]+ 339.08541 179.4
[M+H-H2O]+ 283.11951 161.3
[M+HCOO]- 345.12045 183.9
[M+CH3COO]- 359.13610 180.2
[M+Na-2H]- 321.09692 176.3
[M]+ 300.12170 170.0
[M]- 300.12280 170.0
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.