CID 3079599

Benzamide, 4-amino-5-chloro-n-(2-(cyclopropyl(1-methylethyl)amino)ethyl)-2-methoxy-

Structural Information

Molecular Formula
C16H24ClN3O2
SMILES
CC(C)N(CCNC(=O)C1=CC(=C(C=C1OC)N)Cl)C2CC2
InChI
InChI=1S/C16H24ClN3O2/c1-10(2)20(11-4-5-11)7-6-19-16(21)12-8-13(17)14(18)9-15(12)22-3/h8-11H,4-7,18H2,1-3H3,(H,19,21)
InChIKey
VQKFWQMKOKRFFQ-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16298 170.9
[M+Na]+ 348.14492 177.8
[M-H]- 324.14842 178.8
[M+NH4]+ 343.18952 181.2
[M+K]+ 364.11886 173.3
[M+H-H2O]+ 308.15296 164.3
[M+HCOO]- 370.15390 190.9
[M+CH3COO]- 384.16955 221.7
[M+Na-2H]- 346.13037 170.7
[M]+ 325.15515 176.8
[M]- 325.15625 176.8
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

No patent data available for this compound.