CID 91981798

106200-35-5

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 236.1
[M+Na]+ 549.17582 242.5
[M-H]- 525.17932 238.3
[M+NH4]+ 544.22042 238.7
[M+K]+ 565.14976 231.8
[M+H-H2O]+ 509.18386 216.6
[M+HCOO]- 571.18480 243.8
[M+CH3COO]- 585.20045 236.1
[M+Na-2H]- 547.16127 230.2
[M]+ 526.18605 225.1
[M]- 526.18715 225.1
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.