CID 28944

2,5-bis(diethylaminoacetamido)tropone

Structural Information

Molecular Formula
C19H30N4O3
SMILES
CCN(CC)CC(=O)NC1=CC=C(C(=O)C=C1)NC(=O)CN(CC)CC
InChI
InChI=1S/C19H30N4O3/c1-5-22(6-2)13-18(25)20-15-9-11-16(17(24)12-10-15)21-19(26)14-23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,25)(H,21,24,26)
InChIKey
VAAJQRJXWITFFJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.23178 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.23906 188.5
[M+Na]+ 385.22100 189.1
[M-H]- 361.22450 195.2
[M+NH4]+ 380.26560 200.3
[M+K]+ 401.19494 195.2
[M+H-H2O]+ 345.22904 179.4
[M+HCOO]- 407.22998 213.0
[M+CH3COO]- 421.24563 233.3
[M+Na-2H]- 383.20645 187.4
[M]+ 362.23123 189.7
[M]- 362.23233 189.7
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.