CID 9557770

478519-57-2

Structural Information

Molecular Formula
C17H17N5O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H17N5O2/c1-24-14-8-6-13(7-9-14)12-18-20-17(23)10-11-22-16-5-3-2-4-15(16)19-21-22/h2-9,12H,10-11H2,1H3,(H,20,23)/b18-12+
InChIKey
FSTBBZWGOXNGHY-LDADJPATSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 174.4
[M+Na]+ 346.12742 187.3
[M+NH4]+ 341.17202 180.5
[M+K]+ 362.10136 182.0
[M-H]- 322.13092 177.7
[M+Na-2H]- 344.11287 182.4
[M]+ 323.13765 176.9
[M]- 323.13875 176.9
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.