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]+ 298.12988 166.7
[M+Na]+ 320.11182 174.5
[M-H]- 296.11532 173.2
[M+NH4]+ 315.15642 180.8
[M+K]+ 336.08576 172.4
[M+H-H2O]+ 280.11986 157.0
[M+HCOO]- 342.12080 191.0
[M+CH3COO]- 356.13645 178.5
[M+Na-2H]- 318.09727 171.9
[M]+ 297.12205 171.0
[M]- 297.12315 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.