CID 2887286

N-(1-anilino-2,2,2-trichloroethyl)-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C17H17Cl3N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC=C2)OC
InChI
InChI=1S/C17H17Cl3N2O3/c1-24-13-9-8-11(10-14(13)25-2)15(23)22-16(17(18,19)20)21-12-6-4-3-5-7-12/h3-10,16,21H,1-2H3,(H,22,23)
InChIKey
CAVSAIARGBULPQ-UHFFFAOYSA-N
Compound name
N-(1-anilino-2,2,2-trichloroethyl)-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0305 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.03778 187.4
[M+Na]+ 425.01972 194.0
[M-H]- 401.02322 192.3
[M+NH4]+ 420.06432 199.3
[M+K]+ 440.99366 188.5
[M+H-H2O]+ 385.02776 181.7
[M+HCOO]- 447.02870 195.3
[M+CH3COO]- 461.04435 221.5
[M+Na-2H]- 423.00517 189.6
[M]+ 402.02995 192.9
[M]- 402.03105 192.9
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.