CID 6024327

27334-26-5

Structural Information

Molecular Formula
C21H23N3
SMILES
CC1(CC(=CC(=C(C#N)C#N)C1)/C=C/C2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C21H23N3/c1-21(2)12-17(11-18(13-21)19(14-22)15-23)6-5-16-7-9-20(10-8-16)24(3)4/h5-11H,12-13H2,1-4H3/b6-5+
InChIKey
PJQMYUHLAJJKJK-AATRIKPKSA-N
Compound name
2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

317.1892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 187.6
[M+Na]+ 340.17842 196.7
[M-H]- 316.18192 192.8
[M+NH4]+ 335.22302 198.6
[M+K]+ 356.15236 188.9
[M+H-H2O]+ 300.18646 171.7
[M+HCOO]- 362.18740 197.8
[M+CH3COO]- 376.20305 235.9
[M+Na-2H]- 338.16387 185.4
[M]+ 317.18865 178.1
[M]- 317.18975 178.1
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