CID 91981798

Dtxsid00888825

Structural Information

Molecular Formula
C30H22N8O2
SMILES
CNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)NC4=NC(=C(C#N)C(=O)NC)C5=CC=CC=C54)C#N
InChI
InChI=1S/C30H22N8O2/c1-33-29(39)23(15-31)25-19-7-3-5-9-21(19)27(37-25)35-17-11-13-18(14-12-17)36-28-22-10-6-4-8-20(22)26(38-28)24(16-32)30(40)34-2/h3-14H,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)
InChIKey
VZAHNWMTDWVSNH-UHFFFAOYSA-N
Compound name
2-cyano-2-[3-[4-[[3-[1-cyano-2-(methylamino)-2-oxoethylidene]isoindol-1-yl]amino]anilino]isoindol-1-ylidene]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

526.1866 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.19388 241.5
[M+Na]+ 549.17582 247.6
[M+NH4]+ 544.22042 239.3
[M+K]+ 565.14976 238.2
[M-H]- 525.17932 233.5
[M+Na-2H]- 547.16127 238.1
[M]+ 526.18605 238.6
[M]- 526.18715 238.6
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.