CID 135568379

Brn 0490273

Structural Information

Molecular Formula
C18H15N3O
SMILES
C1CC2=CC=CC=C2C3=CN=C(C4=CC=CC1=C43)/C(=N/O)/N
InChI
InChI=1S/C18H15N3O/c19-18(21-22)17-14-7-3-5-12-9-8-11-4-1-2-6-13(11)15(10-20-17)16(12)14/h1-7,10,22H,8-9H2,(H2,19,21)
InChIKey
UMPZUDLRADSHKZ-UHFFFAOYSA-N
Compound name
N'-hydroxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,10(18),11,13,15-octaene-15-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 164.0
[M+Na]+ 312.11074 176.0
[M+NH4]+ 307.15534 172.5
[M+K]+ 328.08468 169.5
[M-H]- 288.11424 168.0
[M+Na-2H]- 310.09619 169.8
[M]+ 289.12097 166.9
[M]- 289.12207 166.9
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.