CID 3081183

2-n-carboxamidonormianserin

Structural Information

Molecular Formula
C18H19N3O
SMILES
C1CN2C(CN1C(=O)N)C3=CC=CC=C3CC4=CC=CC=C42
InChI
InChI=1S/C18H19N3O/c19-18(22)20-9-10-21-16-8-4-2-6-14(16)11-13-5-1-3-7-15(13)17(21)12-20/h1-8,17H,9-12H2,(H2,19,22)
InChIKey
KZRDDIMEUPJTAW-UHFFFAOYSA-N
Compound name
2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

293.1528 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 166.9
[M+Na]+ 316.14202 173.1
[M-H]- 292.14552 170.8
[M+NH4]+ 311.18662 181.4
[M+K]+ 332.11596 171.2
[M+H-H2O]+ 276.15006 158.9
[M+HCOO]- 338.15100 180.7
[M+CH3COO]- 352.16665 176.2
[M+Na-2H]- 314.12747 172.7
[M]+ 293.15225 160.0
[M]- 293.15335 160.0
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