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]+ 355.09563 179.0
[M+Na]+ 377.07757 185.2
[M-H]- 353.08107 184.9
[M+NH4]+ 372.12217 191.1
[M+K]+ 393.05151 179.3
[M+H-H2O]+ 337.08561 170.1
[M+HCOO]- 399.08655 197.9
[M+CH3COO]- 413.10220 217.8
[M+Na-2H]- 375.06302 185.8
[M]+ 354.08780 180.0
[M]- 354.08890 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.