CID 688222

51325-91-8

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

18510
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 194.3
[M+Na]+ 326.12640 203.2
[M+NH4]+ 321.17100 194.3
[M+K]+ 342.10034 191.7
[M-H]- 302.12990 186.6
[M+Na-2H]- 324.11185 193.3
[M]+ 303.13663 192.2
[M]- 303.13773 192.2
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.