CID 354756

Nsc607288

Structural Information

Molecular Formula
C19H14BrNO
SMILES
CC1=C(C(=C2N1C3=CC=CC=C3C4=CC=CC=C42)Br)C(=O)C
InChI
InChI=1S/C19H14BrNO/c1-11-17(12(2)22)18(20)19-15-9-4-3-7-13(15)14-8-5-6-10-16(14)21(11)19/h3-10H,1-2H3
InChIKey
JVCYLSBYDAQUKH-UHFFFAOYSA-N
Compound name
1-(1-bromo-3-methylpyrrolo[1,2-f]phenanthridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.02588 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03316 177.6
[M+Na]+ 374.01510 193.0
[M-H]- 350.01860 186.6
[M+NH4]+ 369.05970 198.6
[M+K]+ 389.98904 180.0
[M+H-H2O]+ 334.02314 176.9
[M+HCOO]- 396.02408 197.1
[M+CH3COO]- 410.03973 192.1
[M+Na-2H]- 372.00055 183.9
[M]+ 351.02533 201.2
[M]- 351.02643 201.2
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

No patent data available for this compound.