CID 71816

Clociguanil hydrochloride

Structural Information

Molecular Formula
C12H15Cl2N5O
SMILES
CC1(N=C(N=C(N1OCC2=CC(=C(C=C2)Cl)Cl)N)N)C
InChI
InChI=1S/C12H15Cl2N5O/c1-12(2)18-10(15)17-11(16)19(12)20-6-7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
InChIKey
XDTNOYLBDDCJSK-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

46
Patents

315.06537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07265 168.1
[M+Na]+ 338.05459 179.3
[M-H]- 314.05809 170.1
[M+NH4]+ 333.09919 181.6
[M+K]+ 354.02853 173.0
[M+H-H2O]+ 298.06263 160.5
[M+HCOO]- 360.06357 179.0
[M+CH3COO]- 374.07922 208.8
[M+Na-2H]- 336.04004 171.5
[M]+ 315.06482 170.0
[M]- 315.06592 170.0
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