CID 382479

Nsc670085

Structural Information

Molecular Formula
C24H21NO3
SMILES
C=CCCCN1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)C=O
InChI
InChI=1S/C24H21NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h2,4-7,9-12,14,19-21H,1,3,8,13H2
InChIKey
RJLQTAAAKHJZCK-UHFFFAOYSA-N
Compound name
16,18-dioxo-17-pent-4-enyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15941 185.7
[M+Na]+ 394.14135 192.4
[M-H]- 370.14485 189.0
[M+NH4]+ 389.18595 204.9
[M+K]+ 410.11529 185.1
[M+H-H2O]+ 354.14939 175.5
[M+HCOO]- 416.15033 196.3
[M+CH3COO]- 430.16598 194.4
[M+Na-2H]- 392.12680 189.2
[M]+ 371.15158 189.5
[M]- 371.15268 189.5
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.