CID 47201

64058-98-6

Structural Information

Molecular Formula
C18H29ClN2O
SMILES
CCCCNC(=NCCCC)C(C1=CC=C(C=C1)Cl)OCC
InChI
InChI=1S/C18H29ClN2O/c1-4-7-13-20-18(21-14-8-5-2)17(22-6-3)15-9-11-16(19)12-10-15/h9-12,17H,4-8,13-14H2,1-3H3,(H,20,21)
InChIKey
PGLFIQWIIGDSJA-UHFFFAOYSA-N
Compound name
N,N'-dibutyl-2-(4-chlorophenyl)-2-ethoxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.19684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20412 183.5
[M+Na]+ 347.18606 187.3
[M-H]- 323.18956 186.9
[M+NH4]+ 342.23066 198.7
[M+K]+ 363.16000 182.8
[M+H-H2O]+ 307.19410 176.0
[M+HCOO]- 369.19504 202.4
[M+CH3COO]- 383.21069 217.1
[M+Na-2H]- 345.17151 184.0
[M]+ 324.19629 188.8
[M]- 324.19739 188.8
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

patents stripe