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]+ 199.097826 142.2
[M+Na]+ 221.079768 150.4
[M-H]- 197.083274 146.1
[M+NH4]+ 216.124373 159.2
[M+K]+ 237.053708 146.7
[M+H-H2O]+ 181.087810 132.3
[M+HCOO]- 243.088751 167.4
[M+CH3COO]- 257.104401 155.1
[M+Na-2H]- 219.065216 150.3
[M]+ 198.09000142 142.2
[M]- 198.09109858 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

literature stripe

Patent stripe

No patent data available for this compound.