CID 9615775

3-(1h-1,2,3-benzotriazol-1-yl)n'-(1-(3-hydroxyphenyl)ethylidene)propanohydrazide

Structural Information

Molecular Formula
C17H17N5O2
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC(=CC=C3)O
InChI
InChI=1S/C17H17N5O2/c1-12(13-5-4-6-14(23)11-13)18-20-17(24)9-10-22-16-8-3-2-7-15(16)19-21-22/h2-8,11,23H,9-10H2,1H3,(H,20,24)/b18-12+
InChIKey
DJKMYZKTKJCCSS-LDADJPATSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(3-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 174.0
[M+Na]+ 346.12742 181.4
[M-H]- 322.13092 178.4
[M+NH4]+ 341.17202 186.0
[M+K]+ 362.10136 176.6
[M+H-H2O]+ 306.13546 163.7
[M+HCOO]- 368.13640 196.3
[M+CH3COO]- 382.15205 211.6
[M+Na-2H]- 344.11287 179.6
[M]+ 323.13765 176.1
[M]- 323.13875 176.1
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.