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]+ 340.20195 183.9
[M+Na]+ 362.18389 187.8
[M-H]- 338.18739 192.7
[M+NH4]+ 357.22849 197.6
[M+K]+ 378.15783 185.6
[M+H-H2O]+ 322.19193 174.4
[M+HCOO]- 384.19287 208.8
[M+CH3COO]- 398.20852 226.9
[M+Na-2H]- 360.16934 184.1
[M]+ 339.19412 185.1
[M]- 339.19522 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.