CID 380503

Nsc666118

Structural Information

Molecular Formula
C21H20N2O5
SMILES
CCOC(=O)N1C2=CC=CC=C2C3=C(C=C4C(=C31)C=CN4C)OC(=O)OCC
InChI
InChI=1S/C21H20N2O5/c1-4-26-20(24)23-15-9-7-6-8-13(15)18-17(28-21(25)27-5-2)12-16-14(19(18)23)10-11-22(16)3/h6-12H,4-5H2,1-3H3
InChIKey
PNLRZSWKKFGKAV-UHFFFAOYSA-N
Compound name
ethyl 5-ethoxycarbonyloxy-3-methylpyrrolo[3,2-a]carbazole-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14448 190.8
[M+Na]+ 403.12642 202.0
[M-H]- 379.12992 196.4
[M+NH4]+ 398.17102 207.2
[M+K]+ 419.10036 198.4
[M+H-H2O]+ 363.13446 183.3
[M+HCOO]- 425.13540 211.3
[M+CH3COO]- 439.15105 218.7
[M+Na-2H]- 401.11187 192.1
[M]+ 380.13665 202.4
[M]- 380.13775 202.4
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.