CID 27761

Atolide

Structural Information

Molecular Formula
C18H23N3O
SMILES
CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2N)C
InChI
InChI=1S/C18H23N3O/c1-4-21(5-2)14-10-11-17(13(3)12-14)20-18(22)15-8-6-7-9-16(15)19/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKey
MMPYYZUCLBHNSK-UHFFFAOYSA-N
Compound name
2-amino-N-[4-(diethylamino)-2-methylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

297.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 173.4
[M+Na]+ 320.17332 178.6
[M-H]- 296.17682 181.0
[M+NH4]+ 315.21792 188.3
[M+K]+ 336.14726 175.5
[M+H-H2O]+ 280.18136 164.6
[M+HCOO]- 342.18230 198.7
[M+CH3COO]- 356.19795 216.7
[M+Na-2H]- 318.15877 175.2
[M]+ 297.18355 173.2
[M]- 297.18465 173.2
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

No patent data available for this compound.