CID 216357

126581-72-4

Structural Information

Molecular Formula
C16H17BrN2O
SMILES
CC1=C(C2=C(N1C)C(=O)C3=C2C=C(C=C3)Br)CN(C)C
InChI
InChI=1S/C16H17BrN2O/c1-9-13(8-18(2)3)14-12-7-10(17)5-6-11(12)16(20)15(14)19(9)4/h5-7H,8H2,1-4H3
InChIKey
OYLCUBJGWXJMOR-UHFFFAOYSA-N
Compound name
7-bromo-1-[(dimethylamino)methyl]-2,3-dimethylindeno[2,3-b]pyrrol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.05243 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05971 174.6
[M+Na]+ 355.04165 189.0
[M-H]- 331.04515 183.9
[M+NH4]+ 350.08625 197.9
[M+K]+ 371.01559 177.5
[M+H-H2O]+ 315.04969 174.5
[M+HCOO]- 377.05063 195.9
[M+CH3COO]- 391.06628 214.7
[M+Na-2H]- 353.02710 176.2
[M]+ 332.05188 198.0
[M]- 332.05298 198.0
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

No patent data available for this compound.