CID 354757

Nsc607289

Structural Information

Molecular Formula
C20H16BrNO2
SMILES
CCOC(=O)C1=C(N2C3=CC=CC=C3C4=CC=CC=C4C2=C1Br)C
InChI
InChI=1S/C20H16BrNO2/c1-3-24-20(23)17-12(2)22-16-11-7-6-9-14(16)13-8-4-5-10-15(13)19(22)18(17)21/h4-11H,3H2,1-2H3
InChIKey
XFERYNGSCHFMSK-UHFFFAOYSA-N
Compound name
ethyl 1-bromo-3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.03644 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.04372 185.5
[M+Na]+ 404.02566 200.2
[M-H]- 380.02916 194.2
[M+NH4]+ 399.07026 205.2
[M+K]+ 419.99960 187.7
[M+H-H2O]+ 364.03370 184.4
[M+HCOO]- 426.03464 204.7
[M+CH3COO]- 440.05029 199.3
[M+Na-2H]- 402.01111 191.2
[M]+ 381.03589 210.5
[M]- 381.03699 210.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.