CID 135493982

Nsc687209

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCC1=NNC(=O)N1/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C15H14N4O2/c1-2-14-17-18-15(21)19(14)16-9-12-11-6-4-3-5-10(11)7-8-13(12)20/h3-9,20H,2H2,1H3,(H,18,21)/b16-9+
InChIKey
XUKUKFOUKQSITG-CXUHLZMHSA-N
Compound name
3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.11166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 163.7
[M+Na]+ 305.10088 175.0
[M-H]- 281.10438 167.5
[M+NH4]+ 300.14548 177.8
[M+K]+ 321.07482 168.5
[M+H-H2O]+ 265.10892 154.6
[M+HCOO]- 327.10986 186.0
[M+CH3COO]- 341.12551 175.6
[M+Na-2H]- 303.08633 169.7
[M]+ 282.11111 166.1
[M]- 282.11221 166.1
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