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 166.0
[M+Na]+ 312.11074 173.3
[M-H]- 288.11424 171.5
[M+NH4]+ 307.15534 182.2
[M+K]+ 328.08468 172.1
[M+H-H2O]+ 272.11878 159.5
[M+HCOO]- 334.11972 184.9
[M+CH3COO]- 348.13537 176.6
[M+Na-2H]- 310.09619 174.6
[M]+ 289.12097 162.7
[M]- 289.12207 162.7
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.