CID 3003897

68641-01-0

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCCCC(=O)N1C2=C(C=C(C=C2)C=O)/C(=C/N(C)C)/C1=O
InChI
InChI=1S/C17H20N2O3/c1-4-5-6-16(21)19-15-8-7-12(11-20)9-13(15)14(17(19)22)10-18(2)3/h7-11H,4-6H2,1-3H3/b14-10-
InChIKey
LQKILBMAOMOWGL-UVTDQMKNSA-N
Compound name
(3Z)-3-(dimethylaminomethylidene)-2-oxo-1-pentanoylindole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 170.6
[M+Na]+ 323.136618 178.5
[M-H]- 299.140124 175.2
[M+NH4]+ 318.181223 188.2
[M+K]+ 339.110558 175.3
[M+H-H2O]+ 283.144660 163.6
[M+HCOO]- 345.145601 192.3
[M+CH3COO]- 359.161251 211.2
[M+Na-2H]- 321.122066 170.3
[M]+ 300.14685142 174.7
[M]- 300.14794858 174.7
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.