CID 14500563

159939-85-2

Structural Information

Molecular Formula
C16H15ClN4
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC(=C(C=C2)N)N)N3C=CN=C3
InChI
InChI=1S/C16H15ClN4/c17-13-3-1-2-11(8-13)16(21-7-6-20-10-21)12-4-5-14(18)15(19)9-12/h1-10,16H,18-19H2
InChIKey
GGUIKTLTNIMAHY-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

298.0985 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10578 168.7
[M+Na]+ 321.08772 177.2
[M-H]- 297.09122 175.4
[M+NH4]+ 316.13232 182.6
[M+K]+ 337.06166 170.0
[M+H-H2O]+ 281.09576 159.3
[M+HCOO]- 343.09670 187.1
[M+CH3COO]- 357.11235 179.7
[M+Na-2H]- 319.07317 170.7
[M]+ 298.09795 167.3
[M]- 298.09905 167.3
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

patents stripe