CID 3073726

Benzamide, 5-amino-n-(2-(cyclopropylmethylamino)ethyl)-4-fluoro-2-methoxy-

Structural Information

Molecular Formula
C14H20FN3O2
SMILES
CN(CCNC(=O)C1=CC(=C(C=C1OC)F)N)C2CC2
InChI
InChI=1S/C14H20FN3O2/c1-18(9-3-4-9)6-5-17-14(19)10-7-12(16)11(15)8-13(10)20-2/h7-9H,3-6,16H2,1-2H3,(H,17,19)
InChIKey
YONFQCACNHBHMB-UHFFFAOYSA-N
Compound name
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.15396 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16124 158.7
[M+Na]+ 304.14318 166.2
[M-H]- 280.14668 165.9
[M+NH4]+ 299.18778 169.8
[M+K]+ 320.11712 162.8
[M+H-H2O]+ 264.15122 150.2
[M+HCOO]- 326.15216 183.5
[M+CH3COO]- 340.16781 214.2
[M+Na-2H]- 302.12863 160.5
[M]+ 281.15341 161.3
[M]- 281.15451 161.3
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.