CID 49953

Brn 2778954

Structural Information

Molecular Formula
C19H23Cl2N3O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1Cl)NCC2=CC=CC=C2)Cl
InChI
InChI=1S/C19H23Cl2N3O/c1-3-24(4-2)13-18(25)23-19-16(20)10-15(11-17(19)21)22-12-14-8-6-5-7-9-14/h5-11,22H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKey
FNTXJRHCKPGYQD-UHFFFAOYSA-N
Compound name
N-[4-(benzylamino)-2,6-dichlorophenyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12183 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12911 191.9
[M+Na]+ 402.11105 197.8
[M-H]- 378.11455 198.6
[M+NH4]+ 397.15565 205.0
[M+K]+ 418.08499 191.6
[M+H-H2O]+ 362.11909 184.3
[M+HCOO]- 424.12003 207.8
[M+CH3COO]- 438.13568 227.6
[M+Na-2H]- 400.09650 192.7
[M]+ 379.12128 196.8
[M]- 379.12238 196.8
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.