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]+ 301.15468 170.6
[M+Na]+ 323.13662 178.5
[M-H]- 299.14012 175.2
[M+NH4]+ 318.18122 188.2
[M+K]+ 339.11056 175.3
[M+H-H2O]+ 283.14466 163.6
[M+HCOO]- 345.14560 192.3
[M+CH3COO]- 359.16125 211.2
[M+Na-2H]- 321.12207 170.3
[M]+ 300.14685 174.7
[M]- 300.14795 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.