CID 389426

Nsc685508

Structural Information

Molecular Formula
C14H10N4O
SMILES
CC1=C(C(=N)OC2=CC=CC=C12)C(=C(C#N)C#N)N
InChI
InChI=1S/C14H10N4O/c1-8-10-4-2-3-5-11(10)19-14(18)12(8)13(17)9(6-15)7-16/h2-5,18H,17H2,1H3
InChIKey
WPIBDXDIVDEGJQ-UHFFFAOYSA-N
Compound name
2-[amino-(2-imino-4-methylchromen-3-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08546 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09274 176.6
[M+Na]+ 273.07468 186.5
[M-H]- 249.07818 179.8
[M+NH4]+ 268.11928 186.8
[M+K]+ 289.04862 181.3
[M+H-H2O]+ 233.08272 160.7
[M+HCOO]- 295.08366 187.4
[M+CH3COO]- 309.09931 226.7
[M+Na-2H]- 271.06013 176.7
[M]+ 250.08491 166.7
[M]- 250.08601 166.7
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.