CID 5486372

Benzamide, n-(5,13,17,18-tetrahydro-5,13,18-trioxoanthra(1,9-ab)naphtho(2,3-i)carbazol-6-yl)-

Structural Information

Molecular Formula
C38H20N2O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C5=CC6=C7C(=C5N4)C=CC=C7C(=O)C8=CC=CC=C86)C(=O)C9=CC=CC=C9C3=O
InChI
InChI=1S/C38H20N2O4/c41-35-21-12-5-4-11-20(21)26-17-27-28-18-29(39-38(44)19-9-2-1-3-10-19)31-32(37(43)23-14-7-6-13-22(23)36(31)42)34(28)40-33(27)24-15-8-16-25(35)30(24)26/h1-18,40H,(H,39,44)
InChIKey
QBFURFJUECJXAI-UHFFFAOYSA-N
Compound name
N-(6,13,27-trioxo-3-azaoctacyclo[18.11.1.02,18.04,17.05,14.07,12.021,26.028,32]dotriaconta-1,4,7,9,11,14,16,18,20(32),21,23,25,28,30-tetradecaen-15-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.14233 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.14961 228.1
[M+Na]+ 591.13155 235.8
[M-H]- 567.13505 237.2
[M+NH4]+ 586.17615 236.1
[M+K]+ 607.10549 227.2
[M+H-H2O]+ 551.13959 213.2
[M+HCOO]- 613.14053 237.8
[M+CH3COO]- 627.15618 233.4
[M+Na-2H]- 589.11700 231.8
[M]+ 568.14178 230.1
[M]- 568.14288 230.1
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.