CID 136020311

Dtxsid1073026

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C=C2C)NC(=O)C)C
InChI
InChI=1S/C20H25N3O2/c1-6-23(7-2)16-8-9-17(13(3)10-16)22-18-12-19(21-15(5)24)20(25)11-14(18)4/h8-12H,6-7H2,1-5H3,(H,21,24)
InChIKey
VPNCPXFGEIZYCS-UHFFFAOYSA-N
Compound name
N-[3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

339.19467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 183.5
[M+Na]+ 362.18389 189.6
[M-H]- 338.18739 193.0
[M+NH4]+ 357.22849 197.9
[M+K]+ 378.15783 186.9
[M+H-H2O]+ 322.19193 174.4
[M+HCOO]- 384.19287 209.3
[M+CH3COO]- 398.20852 228.6
[M+Na-2H]- 360.16934 183.4
[M]+ 339.19412 186.1
[M]- 339.19522 186.1
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

patents stripe