CID 10978907

3-hydroxy nevirapine

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=C2C(=NC=C1O)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI
InChI=1S/C15H14N4O2/c1-8-11(20)7-17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9,20H,4-5H2,1H3,(H,18,21)
InChIKey
DANIONWINZEYME-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-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
3
Annotation Hits

1
References

6
Patents

282.11166 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 174.6
[M+Na]+ 305.100878 185.7
[M-H]- 281.104384 177.5
[M+NH4]+ 300.145483 181.3
[M+K]+ 321.074818 181.9
[M+H-H2O]+ 265.108920 165.1
[M+HCOO]- 327.109861 187.8
[M+CH3COO]- 341.125511 183.4
[M+Na-2H]- 303.086326 178.9
[M]+ 282.11111142 173.1
[M]- 282.11220858 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

patents stripe