CID 135602187

N-(3-(4-(diethylamino)phenylimino)-6-oxo-1,4-cyclohexadienyl)isobutylamide

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)NC(=O)C(C)C
InChI
InChI=1S/C20H25N3O2/c1-5-23(6-2)17-10-7-15(8-11-17)21-16-9-12-19(24)18(13-16)22-20(25)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,25)
InChIKey
BDOIYBMYLRPPPH-UHFFFAOYSA-N
Compound name
N-[3-[4-(diethylamino)phenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 183.9
[M+Na]+ 362.183888 187.8
[M-H]- 338.187394 192.7
[M+NH4]+ 357.228493 197.6
[M+K]+ 378.157828 185.6
[M+H-H2O]+ 322.191930 174.4
[M+HCOO]- 384.192871 208.8
[M+CH3COO]- 398.208521 226.9
[M+Na-2H]- 360.169336 184.1
[M]+ 339.19412142 185.1
[M]- 339.19521858 185.1
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.