CID 3079598

126105-19-9

Structural Information

Molecular Formula
C15H22ClN3O2
SMILES
CCN(CCNC(=O)C1=CC(=C(C=C1OC)N)Cl)C2CC2
InChI
InChI=1S/C15H22ClN3O2/c1-3-19(10-4-5-10)7-6-18-15(20)11-8-12(16)13(17)9-14(11)21-2/h8-10H,3-7,17H2,1-2H3,(H,18,20)
InChIKey
ANCMQZVYPNOLPM-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14733 167.2
[M+Na]+ 334.12927 174.8
[M-H]- 310.13277 175.2
[M+NH4]+ 329.17387 178.1
[M+K]+ 350.10321 170.0
[M+H-H2O]+ 294.13731 160.5
[M+HCOO]- 356.13825 188.5
[M+CH3COO]- 370.15390 218.0
[M+Na-2H]- 332.11472 168.6
[M]+ 311.13950 173.3
[M]- 311.14060 173.3
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

No patent data available for this compound.