CID 24812721

2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide

Structural Information

Molecular Formula
C22H23N3O3
SMILES
COCCNC1=C(C=CC(=C1)N2C3=C(C(=O)CCC3)C4=CC=CC=C42)C(=O)N
InChI
InChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27)
InChIKey
XQKFKSJUBJPOLY-UHFFFAOYSA-N
Compound name
2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

377.17395 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 188.6
[M+Na]+ 400.16317 195.6
[M-H]- 376.16667 195.4
[M+NH4]+ 395.20777 202.1
[M+K]+ 416.13711 190.0
[M+H-H2O]+ 360.17121 179.4
[M+HCOO]- 422.17215 208.9
[M+CH3COO]- 436.18780 198.3
[M+Na-2H]- 398.14862 190.5
[M]+ 377.17340 189.6
[M]- 377.17450 189.6
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