CID 203937

15499-08-8

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CCN(CC)CCNC1=CC=C(C=CC1=O)NC(=O)C
InChI
InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-14-8-6-13(17-12(3)19)7-9-15(14)20/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKey
KNJFDLWTZVNZQZ-UHFFFAOYSA-N
Compound name
N-[4-[2-(diethylamino)ethylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 164.4
[M+Na]+ 300.16824 167.2
[M-H]- 276.17174 170.3
[M+NH4]+ 295.21284 179.4
[M+K]+ 316.14218 171.6
[M+H-H2O]+ 260.17628 156.9
[M+HCOO]- 322.17722 189.3
[M+CH3COO]- 336.19287 212.6
[M+Na-2H]- 298.15369 166.6
[M]+ 277.17847 163.7
[M]- 277.17957 163.7
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.