CID 3068031

Brn 4682826

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂

SMILES

CC1=C(C=C(C=C1)Cl)N=C(C2=CC=CC=C2)N

InChI

InChI=1S/C14H13ClN2/c1-10-7-8-12(15)9-13(10)17-14(16)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17)

InChIKey

LTGQGQUOWAAALE-UHFFFAOYSA-N

Compound name

N'-(5-chloro-2-methylphenyl)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 244.07672 Da
Monoisotopic Mass: 3.6
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]+	245.08400	155.1
[M+Na]+	267.06594	163.3
[M-H]-	243.06944	162.7
[M+NH4]+	262.11054	173.2
[M+K]+	283.03988	157.7
[M+H-H2O]+	227.07398	148.1
[M+HCOO]-	289.07492	177.0
[M+CH3COO]-	303.09057	199.0
[M+Na-2H]-	265.05139	160.0
[M]+	244.07617	155.3
[M]-	244.07727	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe