CID 9049

Cycloguanil

Structural Information

Molecular Formula
C11H14ClN5
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C
InChI
InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKey
QMNFFXRFOJIOKZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

356
References

6188
Patents

251.09378 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10106 156.4
[M+Na]+ 274.08300 167.2
[M-H]- 250.08650 159.0
[M+NH4]+ 269.12760 171.9
[M+K]+ 290.05694 161.4
[M+H-H2O]+ 234.09104 148.4
[M+HCOO]- 296.09198 172.6
[M+CH3COO]- 310.10763 168.0
[M+Na-2H]- 272.06845 161.7
[M]+ 251.09323 155.1
[M]- 251.09433 155.1
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.