CID 9567669

Mrf3ub2u84

Structural Information

Molecular Formula
C14H21Cl2N5O2
SMILES
CC(C)N=C(N)/N=C(\N)/NOCCCOC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C14H21Cl2N5O2/c1-9(2)19-13(17)20-14(18)21-23-7-3-6-22-10-4-5-11(15)12(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H5,17,18,19,20,21)
InChIKey
IWHOXJBSWZKRRM-UHFFFAOYSA-N
Compound name
(1E)-1-[amino-[3-(3,4-dichlorophenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

361.10724 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11452 187.4
[M+Na]+ 384.09646 192.1
[M-H]- 360.09996 191.7
[M+NH4]+ 379.14106 200.9
[M+K]+ 400.07040 188.5
[M+H-H2O]+ 344.10450 180.6
[M+HCOO]- 406.10544 205.4
[M+CH3COO]- 420.12109 228.0
[M+Na-2H]- 382.08191 186.7
[M]+ 361.10669 190.6
[M]- 361.10779 190.6
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

patents stripe