CID 11820821

6-chloro-n-[5-[4-[(e)-ethoxyiminomethyl]phenoxy]pentyl]-n-methyl-pyridazin-3-amine

Structural Information

Molecular Formula
C19H25ClN4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCCCN(C)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C19H25ClN4O2/c1-3-26-21-15-16-7-9-17(10-8-16)25-14-6-4-5-13-24(2)19-12-11-18(20)22-23-19/h7-12,15H,3-6,13-14H2,1-2H3/b21-15+
InChIKey
ZOWPVCMDAZIJBE-RCCKNPSSSA-N
Compound name
6-chloro-N-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-N-methylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.1666 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17388 190.6
[M+Na]+ 399.15582 196.4
[M-H]- 375.15932 196.2
[M+NH4]+ 394.20042 201.3
[M+K]+ 415.12976 191.9
[M+H-H2O]+ 359.16386 179.4
[M+HCOO]- 421.16480 210.5
[M+CH3COO]- 435.18045 226.3
[M+Na-2H]- 397.14127 194.8
[M]+ 376.16605 198.9
[M]- 376.16715 198.9
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

patents stripe