CID 93262

(2-(2-(4-(dimethylamino)phenyl)vinyl)-6-methyl-4h-pyran-4-ylidene)malononitrile

Structural Information

Molecular Formula
C19H17N3O
SMILES
CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3
InChIKey
YLYPIBBGWLKELC-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

19293
Patents

303.13718 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.144456 182.7
[M+Na]+ 326.126398 191.8
[M-H]- 302.129904 187.8
[M+NH4]+ 321.171003 191.6
[M+K]+ 342.100338 186.4
[M+H-H2O]+ 286.134440 165.7
[M+HCOO]- 348.135381 193.6
[M+CH3COO]- 362.151031 233.5
[M+Na-2H]- 324.111846 181.4
[M]+ 303.13663142 174.5
[M]- 303.13772858 174.5
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.