CID 3079596

Benzamide, 4-amino-5-chloro-n-(2-(cyclopropylamino)ethyl)-2-methoxy-

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NCCNC2CC2)Cl)N
InChI
InChI=1S/C13H18ClN3O2/c1-19-12-7-11(15)10(14)6-9(12)13(18)17-5-4-16-8-2-3-8/h6-8,16H,2-5,15H2,1H3,(H,17,18)
InChIKey
CKZLCXNWKLGHTB-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.10876 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11604 157.4
[M+Na]+ 306.09798 165.7
[M-H]- 282.10148 164.4
[M+NH4]+ 301.14258 168.8
[M+K]+ 322.07192 160.1
[M+H-H2O]+ 266.10602 151.2
[M+HCOO]- 328.10696 178.8
[M+CH3COO]- 342.12261 209.2
[M+Na-2H]- 304.08343 160.6
[M]+ 283.10821 161.6
[M]- 283.10931 161.6
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