CID 135903324

Nsc-746457

Structural Information

Molecular Formula
C14H14N4O2
SMILES
C1=CC=C(C=C1)/C=C/CN2C=C(N=N2)/C=C/C(=O)NO
InChI
InChI=1S/C14H14N4O2/c19-14(16-20)9-8-13-11-18(17-15-13)10-4-7-12-5-2-1-3-6-12/h1-9,11,20H,10H2,(H,16,19)/b7-4+,9-8+
InChIKey
IILXTLMEJJIBSG-NUXDXBQRSA-N
Compound name
(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

270.11166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 162.4
[M+Na]+ 293.10088 169.1
[M-H]- 269.10438 163.8
[M+NH4]+ 288.14548 175.1
[M+K]+ 309.07482 163.9
[M+H-H2O]+ 253.10892 152.7
[M+HCOO]- 315.10986 183.2
[M+CH3COO]- 329.12551 194.1
[M+Na-2H]- 291.08633 166.1
[M]+ 270.11111 161.4
[M]- 270.11221 161.4
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