CID 491827

6-azido-11-methoxy-3-methyl-pyrrolo[1,2-f]phenanthridine-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C21H18N4O3
SMILES
CCOC(=O)C1=C(N2C(=C1)C3=C(C=CC(=C3)OC)C4=C2C=C(C=C4)N=[N+]=[N-])C
InChI
InChI=1S/C21H18N4O3/c1-4-28-21(26)17-11-20-18-10-14(27-3)6-8-15(18)16-7-5-13(23-24-22)9-19(16)25(20)12(17)2/h5-11H,4H2,1-3H3
InChIKey
GBIDYAKWDRTCGB-UHFFFAOYSA-N
Compound name
ethyl 6-azido-11-methoxy-3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13788 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 187.9
[M+Na]+ 397.12710 197.9
[M-H]- 373.13060 196.7
[M+NH4]+ 392.17170 203.7
[M+K]+ 413.10104 188.5
[M+H-H2O]+ 357.13514 182.7
[M+HCOO]- 419.13608 215.6
[M+CH3COO]- 433.15173 224.6
[M+Na-2H]- 395.11255 197.1
[M]+ 374.13733 194.6
[M]- 374.13843 194.6
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

No patent data available for this compound.