CID 321791

Nsc275421

Structural Information

Molecular Formula
C23H17N3O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(N2C)C(=CC4=NC5=CC=CC=C5N=C43)OC(=O)C
InChI
InChI=1S/C23H17N3O4/c1-12(27)29-14-8-9-15-19(10-14)26(3)23-20(30-13(2)28)11-18-22(21(15)23)25-17-7-5-4-6-16(17)24-18/h4-11H,1-3H3
InChIKey
WBBPVNHLCGVWSV-UHFFFAOYSA-N
Compound name
(7-acetyloxy-8-methylindolo[3,2-a]phenazin-10-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12192 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12920 196.7
[M+Na]+ 422.11114 208.9
[M-H]- 398.11464 201.6
[M+NH4]+ 417.15574 209.4
[M+K]+ 438.08508 203.1
[M+H-H2O]+ 382.11918 186.3
[M+HCOO]- 444.12012 213.2
[M+CH3COO]- 458.13577 206.9
[M+Na-2H]- 420.09659 201.4
[M]+ 399.12137 205.9
[M]- 399.12247 205.9
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.