CID 464530

Nevirapin 4-substituted deriv. 4j

Structural Information

Molecular Formula
C19H21N5O2
SMILES
C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)CN5CCOCC5
InChI
InChI=1S/C19H21N5O2/c25-19-15-2-1-6-20-17(15)24(14-3-4-14)18-16(22-19)13(5-7-21-18)12-23-8-10-26-11-9-23/h1-2,5-7,14H,3-4,8-12H2,(H,22,25)
InChIKey
DJJGHDUJVKRXFH-UHFFFAOYSA-N
Compound name
2-cyclopropyl-7-(morpholin-4-ylmethyl)-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
1
Annotation Hits

1
References

0
Patents

351.16953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 196.6
[M+Na]+ 374.15875 204.4
[M-H]- 350.16225 200.8
[M+NH4]+ 369.20335 197.6
[M+K]+ 390.13269 200.9
[M+H-H2O]+ 334.16679 183.2
[M+HCOO]- 396.16773 204.8
[M+CH3COO]- 410.18338 202.3
[M+Na-2H]- 372.14420 198.8
[M]+ 351.16898 191.8
[M]- 351.17008 191.8
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.