CID 3018612

Xhtafvmlaheelk-uhfffaoysa-n

Structural Information

Molecular Formula
C25H15N5O3
SMILES
C1=CC=C2C(=C1)C(=C(C#N)C(=O)N)N=C2NC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C25H15N5O3/c26-13-20(22(27)31)21-16-5-1-2-6-17(16)23(29-21)28-14-9-11-15(12-10-14)30-24(32)18-7-3-4-8-19(18)25(30)33/h1-12H,(H2,27,31)(H,28,29)
InChIKey
XHTAFVMLAHEELK-UHFFFAOYSA-N
Compound name
2-cyano-2-[3-[4-(1,3-dioxoisoindol-2-yl)anilino]isoindol-1-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.124776 212.5
[M+Na]+ 456.106718 222.3
[M-H]- 432.110224 218.6
[M+NH4]+ 451.151323 221.4
[M+K]+ 472.080658 211.6
[M+H-H2O]+ 416.114760 196.0
[M+HCOO]- 478.115701 227.4
[M+CH3COO]- 492.131351 218.7
[M+Na-2H]- 454.092166 209.0
[M]+ 433.11695142 205.7
[M]- 433.11804858 205.7
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.