CID 11820933

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

Structural Information

Molecular Formula
C18H23ClN4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCCCNC2=NN=C(C=C2)Cl
InChI
InChI=1S/C18H23ClN4O2/c1-2-25-21-14-15-6-8-16(9-7-15)24-13-5-3-4-12-20-18-11-10-17(19)22-23-18/h6-11,14H,2-5,12-13H2,1H3,(H,20,23)/b21-14+
InChIKey
SXZJZHGWVGINCJ-KGENOOAVSA-N
Compound name
6-chloro-N-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15094 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15822 185.4
[M+Na]+ 385.14016 191.5
[M-H]- 361.14366 189.6
[M+NH4]+ 380.18476 196.0
[M+K]+ 401.11410 185.8
[M+H-H2O]+ 345.14820 174.5
[M+HCOO]- 407.14914 205.1
[M+CH3COO]- 421.16479 220.1
[M+Na-2H]- 383.12561 190.9
[M]+ 362.15039 192.1
[M]- 362.15149 192.1
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.