CID 9619647

518019-34-6

Structural Information

Molecular Formula
C17H15Cl2N5O
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H15Cl2N5O/c1-11(12-6-7-13(18)14(19)10-12)20-22-17(25)8-9-24-16-5-3-2-4-15(16)21-23-24/h2-7,10H,8-9H2,1H3,(H,22,25)/b20-11+
InChIKey
JPONFSCRTSXJIY-RGVLZGJSSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.06537 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.07265 185.3
[M+Na]+ 398.05459 195.2
[M-H]- 374.05809 190.0
[M+NH4]+ 393.09919 197.5
[M+K]+ 414.02853 188.0
[M+H-H2O]+ 358.06263 175.3
[M+HCOO]- 420.06357 198.8
[M+CH3COO]- 434.07922 195.3
[M+Na-2H]- 396.04004 188.8
[M]+ 375.06482 191.5
[M]- 375.06592 191.5
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.