CID 135602188

Dtxsid6073025

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C(=C2)NC(=O)C(C)C)C
InChI
InChI=1S/C21H27N3O2/c1-6-24(7-2)17-9-10-18(15(5)12-17)22-16-8-11-20(25)19(13-16)23-21(26)14(3)4/h8-14H,6-7H2,1-5H3,(H,23,26)
InChIKey
HFPYUTMOGZGTHE-UHFFFAOYSA-N
Compound name
N-[3-[4-(diethylamino)-2-methylphenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.217606 188.2
[M+Na]+ 376.199548 192.7
[M-H]- 352.203054 197.3
[M+NH4]+ 371.244153 201.7
[M+K]+ 392.173488 190.3
[M+H-H2O]+ 336.207590 178.9
[M+HCOO]- 398.208531 212.8
[M+CH3COO]- 412.224181 231.1
[M+Na-2H]- 374.184996 187.2
[M]+ 353.20978142 190.2
[M]- 353.21087858 190.2
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.