CID 9615773

612047-70-8

Structural Information

Molecular Formula
C15H15N5O2
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CO3
InChI
InChI=1S/C15H15N5O2/c1-11(14-7-4-10-22-14)16-18-15(21)8-9-20-13-6-3-2-5-12(13)17-19-20/h2-7,10H,8-9H2,1H3,(H,18,21)/b16-11+
InChIKey
JKHCODLGWJBVLA-LFIBNONCSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.1226 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.129876 166.7
[M+Na]+ 320.111818 174.5
[M-H]- 296.115324 173.2
[M+NH4]+ 315.156423 180.8
[M+K]+ 336.085758 172.4
[M+H-H2O]+ 280.119860 157.0
[M+HCOO]- 342.120801 191.0
[M+CH3COO]- 356.136451 178.5
[M+Na-2H]- 318.097266 171.9
[M]+ 297.12205142 171.0
[M]- 297.12314858 171.0
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.