CID 95045

4-(4-(dimethylamino)phenylimino)-2-methyl-2,5-cyclohexadien-1-one

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC(=NC2=CC=C(C=C2)N(C)C)C=CC1=O
InChI
InChI=1S/C15H16N2O/c1-11-10-13(6-9-15(11)18)16-12-4-7-14(8-5-12)17(2)3/h4-10H,1-3H3
InChIKey
TVFVEJDBKZLTOQ-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]imino-2-methylcyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

240.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.0
[M+Na]+ 263.11549 161.4
[M-H]- 239.11899 163.8
[M+NH4]+ 258.16009 172.5
[M+K]+ 279.08943 159.1
[M+H-H2O]+ 223.12353 145.9
[M+HCOO]- 285.12447 181.3
[M+CH3COO]- 299.14012 204.3
[M+Na-2H]- 261.10094 158.8
[M]+ 240.12572 154.8
[M]- 240.12682 154.8
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