CID 135505141

Nsc687210

Structural Information

Molecular Formula
C19H14N4O2
SMILES
C1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C19H14N4O2/c24-17-11-10-13-6-4-5-9-15(13)16(17)12-20-23-18(21-22-19(23)25)14-7-2-1-3-8-14/h1-12,24H,(H,22,25)/b20-12+
InChIKey
DURPQMOKNMDKQS-UDWIEESQSA-N
Compound name
4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.11166 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11894 176.0
[M+Na]+ 353.10088 186.7
[M-H]- 329.10438 182.8
[M+NH4]+ 348.14548 187.4
[M+K]+ 369.07482 178.7
[M+H-H2O]+ 313.10892 165.3
[M+HCOO]- 375.10986 198.0
[M+CH3COO]- 389.12551 186.9
[M+Na-2H]- 351.08633 182.2
[M]+ 330.11111 177.0
[M]- 330.11221 177.0
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

patents stripe