CID 135770363

Brn 4213547

Structural Information

Molecular Formula
C20H23Cl2N5O2
SMILES
C/C(=N\N=C\C1=CC=CC=C1O)/C(=NC2=CC=C(C=C2)N(CCCl)CCCl)NO
InChI
InChI=1S/C20H23Cl2N5O2/c1-15(25-23-14-16-4-2-3-5-19(16)28)20(26-29)24-17-6-8-18(9-7-17)27(12-10-21)13-11-22/h2-9,14,28-29H,10-13H2,1H3,(H,24,26)/b23-14+,25-15+
InChIKey
DVUQFAMSKCYGBY-VMDTWFCSSA-N
Compound name
(2E)-N'-[4-[bis(2-chloroethyl)amino]phenyl]-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1229 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13018 204.2
[M+Na]+ 458.11212 213.7
[M+NH4]+ 453.15672 209.7
[M+K]+ 474.08606 205.8
[M-H]- 434.11562 209.5
[M+Na-2H]- 456.09757 210.6
[M]+ 435.12235 207.2
[M]- 435.12345 207.2
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.