CID 3076684

Benzamide, 5-chloro-4-((4,5-dihydro-1h-imidazol-2-yl)amino)-2-methoxy-n-methyl-

Structural Information

Molecular Formula
C12H15ClN4O2
SMILES
CNC(=O)C1=CC(=C(C=C1OC)NC2=NCCN2)Cl
InChI
InChI=1S/C12H15ClN4O2/c1-14-11(18)7-5-8(13)9(6-10(7)19-2)17-12-15-3-4-16-12/h5-6H,3-4H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKey
CBPNCWPUYCIIMV-UHFFFAOYSA-N
Compound name
5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.08835 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09563 163.1
[M+Na]+ 305.07757 170.7
[M-H]- 281.08107 166.3
[M+NH4]+ 300.12217 177.9
[M+K]+ 321.05151 165.8
[M+H-H2O]+ 265.08561 155.2
[M+HCOO]- 327.08655 180.4
[M+CH3COO]- 341.10220 199.2
[M+Na-2H]- 303.06302 165.4
[M]+ 282.08780 163.2
[M]- 282.08890 163.2
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