CID 4463

Nevirapine

Structural Information

Molecular Formula
C15H14N4O
SMILES
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI
InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
InChIKey
NQDJXKOVJZTUJA-UHFFFAOYSA-N
Compound name
2-cyclopropyl-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
8
Annotation Hits

5024
References

50287
Patents

266.11676 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 171.2
[M+Na]+ 289.10598 182.0
[M-H]- 265.10948 174.9
[M+NH4]+ 284.15058 178.8
[M+K]+ 305.07992 178.3
[M+H-H2O]+ 249.11402 161.1
[M+HCOO]- 311.11496 185.7
[M+CH3COO]- 325.13061 180.4
[M+Na-2H]- 287.09143 176.5
[M]+ 266.11621 169.4
[M]- 266.11731 169.4
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

No patent data available for this compound.