CID 10755325

8-hydroxynevirapine

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=C2C(=NC=C1)N(C3=C(C=C(C=N3)O)C(=O)N2)C4CC4
InChI
InChI=1S/C15H14N4O2/c1-8-4-5-16-14-12(8)18-15(21)11-6-10(20)7-17-13(11)19(14)9-2-3-9/h4-7,9,20H,2-3H2,1H3,(H,18,21)
InChIKey
DZPVEPLRIKDBFC-UHFFFAOYSA-N
Compound name
2-cyclopropyl-13-hydroxy-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 167.9
[M+Na]+ 305.10088 181.8
[M+NH4]+ 300.14548 174.5
[M+K]+ 321.07482 177.9
[M-H]- 281.10438 175.5
[M+Na-2H]- 303.08633 174.7
[M]+ 282.11111 173.1
[M]- 282.11221 173.1
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.