CID 154699626

Ns00117380

Structural Information

Molecular Formula
C11H15Cl2N5O
SMILES
CC(C)(N=C(N)N=C(N)NC1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C11H15Cl2N5O/c1-11(2,19)18-10(15)17-9(14)16-6-3-4-7(12)8(13)5-6/h3-5,19H,1-2H3,(H5,14,15,16,17,18)
InChIKey
GXIYYKFEFVBTAX-UHFFFAOYSA-N
Compound name
1-[amino-(3,4-dichloroanilino)methylidene]-2-(2-hydroxypropan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07265 172.0
[M+Na]+ 326.05459 178.4
[M-H]- 302.05809 175.8
[M+NH4]+ 321.09919 187.4
[M+K]+ 342.02853 173.9
[M+H-H2O]+ 286.06263 166.8
[M+HCOO]- 348.06357 188.7
[M+CH3COO]- 362.07922 214.3
[M+Na-2H]- 324.04004 174.1
[M]+ 303.06482 170.9
[M]- 303.06592 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.