CID 216355

126581-74-6

Structural Information

Molecular Formula
C22H21BrN2O
SMILES
CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=C2C=C(C=C4)Br)CN(C)C
InChI
InChI=1S/C22H21BrN2O/c1-14-19(13-24(2)3)20-18-11-16(23)9-10-17(18)22(26)21(20)25(14)12-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3
InChIKey
DGDOAYXAWGZZMH-UHFFFAOYSA-N
Compound name
3-benzyl-7-bromo-1-[(dimethylamino)methyl]-2-methylindeno[2,3-b]pyrrol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

408.08374 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09102 197.3
[M+Na]+ 431.07296 210.0
[M-H]- 407.07646 209.1
[M+NH4]+ 426.11756 217.0
[M+K]+ 447.04690 197.5
[M+H-H2O]+ 391.08100 195.9
[M+HCOO]- 453.08194 217.9
[M+CH3COO]- 467.09759 210.5
[M+Na-2H]- 429.05841 197.3
[M]+ 408.08319 220.2
[M]- 408.08429 220.2
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