CID 135443554

Nsc168466

Structural Information

Molecular Formula
C17H15N3O
SMILES
C/C(=N\NC1=NC2=CC=CC=C2C=C1)/C3=CC=CC=C3O
InChI
InChI=1S/C17H15N3O/c1-12(14-7-3-5-9-16(14)21)19-20-17-11-10-13-6-2-4-8-15(13)18-17/h2-11,21H,1H3,(H,18,20)/b19-12+
InChIKey
IZHPDVLGPQNUBP-XDHOZWIPSA-N
Compound name
2-[(E)-C-methyl-N-(quinolin-2-ylamino)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

277.12152 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 162.4
[M+Na]+ 300.11074 169.2
[M-H]- 276.11424 168.6
[M+NH4]+ 295.15534 177.2
[M+K]+ 316.08468 164.1
[M+H-H2O]+ 260.11878 153.2
[M+HCOO]- 322.11972 185.7
[M+CH3COO]- 336.13537 173.6
[M+Na-2H]- 298.09619 170.6
[M]+ 277.12097 161.2
[M]- 277.12207 161.2
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