CID 3008706

11-[(3,4-dichlorophenyl)methoxy]-7,9,11-triazaspiro[5.5]undeca-7,9-diene-8,10-diamine

Structural Information

Molecular Formula
C15H19Cl2N5O
SMILES
C1CCC2(CC1)N=C(N=C(N2OCC3=CC(=C(C=C3)Cl)Cl)N)N
InChI
InChI=1S/C15H19Cl2N5O/c16-11-5-4-10(8-12(11)17)9-23-22-14(19)20-13(18)21-15(22)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H4,18,19,20,21)
InChIKey
ZXJWLCKLFPKXIT-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methoxy]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09668 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10396 179.3
[M+Na]+ 378.08590 187.3
[M-H]- 354.08940 181.9
[M+NH4]+ 373.13050 190.7
[M+K]+ 394.05984 180.3
[M+H-H2O]+ 338.09394 169.7
[M+HCOO]- 400.09488 186.3
[M+CH3COO]- 414.11053 187.6
[M+Na-2H]- 376.07135 182.0
[M]+ 355.09613 176.2
[M]- 355.09723 176.2
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.