CID 379252

Nsc663666

Structural Information

Molecular Formula
C24H11NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C4C(=O)C=CC(=O)C4=C5C(=C3C2=O)C6=CC=CC=C6N5
InChI
InChI=1S/C24H11NO4/c26-15-9-10-16(27)19-18(15)21-20(17-13-7-3-4-8-14(13)25-22(17)19)23(28)11-5-1-2-6-12(11)24(21)29/h1-10,25H
InChIKey
MEONYDMMNHPUSF-UHFFFAOYSA-N
Compound name
9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1,3,5,7,10,13,16,19,21,23-decaene-12,15,18,25-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.06882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07610 186.4
[M+Na]+ 400.05804 202.5
[M-H]- 376.06154 194.8
[M+NH4]+ 395.10264 203.3
[M+K]+ 416.03198 193.9
[M+H-H2O]+ 360.06608 177.1
[M+HCOO]- 422.06702 206.7
[M+CH3COO]- 436.08267 198.8
[M+Na-2H]- 398.04349 194.4
[M]+ 377.06827 194.0
[M]- 377.06937 194.0
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.