CID 9570348

19803-78-2

Structural Information

Molecular Formula
C22H29Cl2N11
SMILES
C1CN(CCN1CCN=C(N)/N=C(\N)/NC2=CC=C(C=C2)Cl)/C(=N/C(=NC3=CC=C(C=C3)Cl)N)/N
InChI
InChI=1S/C22H29Cl2N11/c23-15-1-5-17(6-2-15)30-20(26)32-19(25)29-9-10-34-11-13-35(14-12-34)22(28)33-21(27)31-18-7-3-16(24)4-8-18/h1-8H,9-14H2,(H4,27,28,31,33)(H5,25,26,29,30,32)
InChIKey
XLZPFQYCMINHGY-UHFFFAOYSA-N
Compound name
4-[2-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.1984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.20568 224.9
[M+Na]+ 540.18762 225.4
[M-H]- 516.19112 233.2
[M+NH4]+ 535.23222 228.6
[M+K]+ 556.16156 221.1
[M+H-H2O]+ 500.19566 213.3
[M+HCOO]- 562.19660 241.2
[M+CH3COO]- 576.21225 267.0
[M+Na-2H]- 538.17307 224.2
[M]+ 517.19785 219.3
[M]- 517.19895 219.3
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.