CID 7349326

326002-00-0

Structural Information

Molecular Formula
C17H17N5O
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CC=C3
InChI
InChI=1S/C17H17N5O/c1-13(14-7-3-2-4-8-14)18-20-17(23)11-12-22-16-10-6-5-9-15(16)19-21-22/h2-10H,11-12H2,1H3,(H,20,23)/b18-13+
InChIKey
FRLDHZRPNJGICL-QGOAFFKASA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1433 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 170.5
[M+Na]+ 330.13252 183.2
[M+NH4]+ 325.17712 177.1
[M+K]+ 346.10646 178.0
[M-H]- 306.13602 174.0
[M+Na-2H]- 328.11797 179.0
[M]+ 307.14275 173.1
[M]- 307.14385 173.1
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.