CID 11820831

6-chloro-n-[4-[4-[(e)-ethoxyiminomethyl]phenoxy]butyl]-n-methyl-pyridazin-3-amine

Structural Information

Molecular Formula
C18H23ClN4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCCN(C)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C18H23ClN4O2/c1-3-25-20-14-15-6-8-16(9-7-15)24-13-5-4-12-23(2)18-11-10-17(19)21-22-18/h6-11,14H,3-5,12-13H2,1-2H3/b20-14+
InChIKey
TYMKKQWCSDIDNZ-XSFVSMFZSA-N
Compound name
6-chloro-N-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-N-methylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15094 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15822 186.1
[M+Na]+ 385.14016 192.4
[M-H]- 361.14366 191.9
[M+NH4]+ 380.18476 197.4
[M+K]+ 401.11410 188.2
[M+H-H2O]+ 345.14820 175.1
[M+HCOO]- 407.14914 206.4
[M+CH3COO]- 421.16479 223.4
[M+Na-2H]- 383.12561 190.9
[M]+ 362.15039 194.1
[M]- 362.15149 194.1
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.