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: 6242
Patents: 251.09378 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.101056	156.4
[M+Na]+	274.082998	167.2
[M-H]-	250.086504	159.0
[M+NH4]+	269.127603	171.9
[M+K]+	290.056938	161.4
[M+H-H2O]+	234.091040	148.4
[M+HCOO]-	296.091981	172.6
[M+CH3COO]-	310.107631	168.0
[M+Na-2H]-	272.068446	161.7
[M]+	251.09323142	155.1
[M]-	251.09432858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe