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
5
Annotation Hits

355
References

5444
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 154.1
[M+Na]+ 274.08300 168.4
[M+NH4]+ 269.12760 163.0
[M+K]+ 290.05694 159.9
[M-H]- 250.08650 157.9
[M+Na-2H]- 272.06845 163.5
[M]+ 251.09323 157.6
[M]- 251.09433 157.6
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