CID 135599757

126389-59-1

Structural Information

Molecular Formula
C18H21Cl2N5O2
SMILES
C/C(=N\N=C\C1=CC=CO1)/C(=NC2=CC=C(C=C2)N(CCCl)CCCl)NO
InChI
InChI=1S/C18H21Cl2N5O2/c1-14(23-21-13-17-3-2-12-27-17)18(24-26)22-15-4-6-16(7-5-15)25(10-8-19)11-9-20/h2-7,12-13,26H,8-11H2,1H3,(H,22,24)/b21-13+,23-14+
InChIKey
MGRKHDOBPJUTPJ-WFTGYDCDSA-N
Compound name
(2E)-N'-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.10724 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11452 199.8
[M+Na]+ 432.09646 208.2
[M+NH4]+ 427.14106 205.5
[M+K]+ 448.07040 202.7
[M-H]- 408.09996 205.9
[M+Na-2H]- 430.08191 205.2
[M]+ 409.10669 202.8
[M]- 409.10779 202.8
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.