CID 135641993

478519-38-9

Structural Information

Molecular Formula
C17H17N5O2
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CC=C3O
InChI
InChI=1S/C17H17N5O2/c1-12(13-6-2-5-9-16(13)23)18-20-17(24)10-11-22-15-8-4-3-7-14(15)19-21-22/h2-9,23H,10-11H2,1H3,(H,20,24)/b18-12+
InChIKey
BNRJUQRSAPQSRB-LDADJPATSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 174.2
[M+Na]+ 346.12742 186.3
[M+NH4]+ 341.17202 179.8
[M+K]+ 362.10136 182.1
[M-H]- 322.13092 176.8
[M+Na-2H]- 344.11287 181.4
[M]+ 323.13765 176.3
[M]- 323.13875 176.3
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.