CID 688222

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4h-pyran

Structural Information

Molecular Formula
C19H17N3O
SMILES
CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=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/b9-6+
InChIKey
YLYPIBBGWLKELC-RMKNXTFCSA-N
Compound name
2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

19584
Patents

303.13718 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14446 182.7
[M+Na]+ 326.12640 191.8
[M-H]- 302.12990 187.8
[M+NH4]+ 321.17100 191.6
[M+K]+ 342.10034 186.4
[M+H-H2O]+ 286.13444 165.7
[M+HCOO]- 348.13538 193.6
[M+CH3COO]- 362.15103 233.5
[M+Na-2H]- 324.11185 181.4
[M]+ 303.13663 174.5
[M]- 303.13773 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

literature stripe

Patent stripe

patents stripe