CID 5337535

(e)-3-phenyl-n-(1,2,4-triazol-4-yl)prop-2-en-1-imine

Structural Information

Molecular Formula
C11H10N4
SMILES
C1=CC=C(C=C1)/C=C/C=N/N2C=NN=C2
InChI
InChI=1S/C11H10N4/c1-2-5-11(6-3-1)7-4-8-14-15-9-12-13-10-15/h1-10H/b7-4+,14-8+
InChIKey
HIQAKCUTUJDMGW-CUJDEGIUSA-N
Compound name
(E,E)-3-phenyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

198.09055 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09783 142.2
[M+Na]+ 221.07977 150.4
[M-H]- 197.08327 146.1
[M+NH4]+ 216.12437 159.2
[M+K]+ 237.05371 146.7
[M+H-H2O]+ 181.08781 132.3
[M+HCOO]- 243.08875 167.4
[M+CH3COO]- 257.10440 155.1
[M+Na-2H]- 219.06522 150.3
[M]+ 198.09000 142.2
[M]- 198.09110 142.2
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.