CID 10709035

4-carboxy nevirapine

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)C(=O)O
InChI
InChI=1S/C15H12N4O3/c20-14-10-2-1-6-16-12(10)19(8-3-4-8)13-11(18-14)9(15(21)22)5-7-17-13/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22)
InChIKey
WDXCMIDQWGYHIN-UHFFFAOYSA-N
Compound name
2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

296.09094 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 169.7
[M+Na]+ 319.08016 182.6
[M+NH4]+ 314.12476 175.5
[M+K]+ 335.05410 179.6
[M-H]- 295.08366 176.5
[M+Na-2H]- 317.06561 176.0
[M]+ 296.09039 174.4
[M]- 296.09149 174.4
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

patents stripe