CID 10850461

2-hydroxy nevirapine

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=CC(=O)NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3
InChI
InChI=1S/C15H14N4O2/c1-8-7-11(20)17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,20)(H,18,21)
InChIKey
LFZSOJABLBVGRJ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene-5,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

282.11166 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 167.7
[M+Na]+ 305.10088 181.6
[M+NH4]+ 300.14548 174.1
[M+K]+ 321.07482 177.6
[M-H]- 281.10438 175.0
[M+Na-2H]- 303.08633 174.4
[M]+ 282.11111 172.7
[M]- 282.11221 172.7
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