CID 3773747

N-{2,2,2-trichloro-1-[(2,3-dichlorophenyl)amino]ethyl}naphthalene-1-carboxamide

Structural Information

Molecular Formula
C19H13Cl5N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC(C(Cl)(Cl)Cl)NC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C19H13Cl5N2O/c20-14-9-4-10-15(16(14)21)25-18(19(22,23)24)26-17(27)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,18,25H,(H,26,27)
InChIKey
JCRIGJRJJVYCAW-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.94705 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.95433 197.8
[M+Na]+ 482.93627 204.6
[M-H]- 458.93977 199.2
[M+NH4]+ 477.98087 207.6
[M+K]+ 498.91021 198.1
[M+H-H2O]+ 442.94431 192.9
[M+HCOO]- 504.94525 193.3
[M+CH3COO]- 518.96090 203.6
[M+Na-2H]- 480.92172 197.9
[M]+ 459.94650 199.1
[M]- 459.94760 199.1
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.