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

29
Patents

339.19467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 183.5
[M+Na]+ 362.183888 189.6
[M-H]- 338.187394 193.0
[M+NH4]+ 357.228493 197.9
[M+K]+ 378.157828 186.9
[M+H-H2O]+ 322.191930 174.4
[M+HCOO]- 384.192871 209.3
[M+CH3COO]- 398.208521 228.6
[M+Na-2H]- 360.169336 183.4
[M]+ 339.19412142 186.1
[M]- 339.19521858 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