CID 390674

Nsc688305

Structural Information

Molecular Formula
C21H19N3O6
SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(=C)C4=C3C=C(C=C4)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C21H19N3O6/c1-11-10-23(16-9-13(24(26)27)5-6-14(11)16)21(25)15-7-12-8-17(28-2)19(29-3)20(30-4)18(12)22-15/h5-9,22H,1,10H2,2-4H3
InChIKey
DWSICZZEASBORM-UHFFFAOYSA-N
Compound name
(3-methylidene-6-nitro-2H-indol-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.12738 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13466 195.5
[M+Na]+ 432.11660 203.4
[M-H]- 408.12010 202.0
[M+NH4]+ 427.16120 207.5
[M+K]+ 448.09054 195.1
[M+H-H2O]+ 392.12464 192.2
[M+HCOO]- 454.12558 214.8
[M+CH3COO]- 468.14123 217.9
[M+Na-2H]- 430.10205 197.1
[M]+ 409.12683 199.6
[M]- 409.12793 199.6
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.