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

52290
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

literature stripe

Patent stripe

patents stripe