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
2
Annotation Hits

0
References

314
Patents

297.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 173.4
[M+Na]+ 320.173318 178.6
[M-H]- 296.176824 181.0
[M+NH4]+ 315.217923 188.3
[M+K]+ 336.147258 175.5
[M+H-H2O]+ 280.181360 164.6
[M+HCOO]- 342.182301 198.7
[M+CH3COO]- 356.197951 216.7
[M+Na-2H]- 318.158766 175.2
[M]+ 297.18355142 173.2
[M]- 297.18464858 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

literature stripe

Patent stripe

patents stripe