CID 9616008

3-(1h-1,2,3-benzotriazol-1-yl)-n'-[1-(4-pyridinyl)ethylidene]propanohydrazide

Structural Information

Molecular Formula
C16H16N6O
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=NC=C3
InChI
InChI=1S/C16H16N6O/c1-12(13-6-9-17-10-7-13)18-20-16(23)8-11-22-15-5-3-2-4-14(15)19-21-22/h2-7,9-10H,8,11H2,1H3,(H,20,23)/b18-12+
InChIKey
XZIGXCWJSDGNOF-LDADJPATSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.13855 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14583 170.2
[M+Na]+ 331.12777 177.8
[M-H]- 307.13127 174.3
[M+NH4]+ 326.17237 181.9
[M+K]+ 347.10171 173.0
[M+H-H2O]+ 291.13581 158.8
[M+HCOO]- 353.13675 192.7
[M+CH3COO]- 367.15240 180.6
[M+Na-2H]- 329.11322 177.5
[M]+ 308.13800 172.5
[M]- 308.13910 172.5
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.