CID 3077552

Brn 4822222

Structural Information

Molecular Formula
C18H15ClN4O2
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)CCl
InChI
InChI=1S/C18H15ClN4O2/c19-11-17(24)22-23-18(25)14-10-16(20-12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25)
InChIKey
ZLLSYIMPOVUNQP-UHFFFAOYSA-N
Compound name
2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08835 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.095626 179.0
[M+Na]+ 377.077568 185.2
[M-H]- 353.081074 184.9
[M+NH4]+ 372.122173 191.1
[M+K]+ 393.051508 179.3
[M+H-H2O]+ 337.085610 170.1
[M+HCOO]- 399.086551 197.9
[M+CH3COO]- 413.102201 217.8
[M+Na-2H]- 375.063016 185.8
[M]+ 354.08780142 180.0
[M]- 354.08889858 180.0
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.