CID 6178111

Proguanil

Structural Information

Molecular Formula

C₁₁H₁₆ClN₅

SMILES

CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)

InChIKey

SSOLNOMRVKKSON-UHFFFAOYSA-N

Compound name

(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1576
References: 20808
Patents: 253.10942 Da
Monoisotopic Mass: 1.5
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]+	254.11670	161.8
[M+Na]+	276.09864	166.8
[M-H]-	252.10214	167.0
[M+NH4]+	271.14324	179.0
[M+K]+	292.07258	163.9
[M+H-H2O]+	236.10668	154.7
[M+HCOO]-	298.10762	185.3
[M+CH3COO]-	312.12327	209.5
[M+Na-2H]-	274.08409	163.9
[M]+	253.10887	159.4
[M]-	253.10997	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe