CID 206882

28837-84-5

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CN1CCN(CC1)C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)C=O
InChI
InChI=1S/C16H19N3O3/c1-18-5-7-19(8-6-18)16(21)15-13(10-20)12-9-11(22-2)3-4-14(12)17-15/h3-4,9-10,17H,5-8H2,1-2H3
InChIKey
KOLWXIIJKVLBMG-UHFFFAOYSA-N
Compound name
5-methoxy-2-(4-methylpiperazine-1-carbonyl)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

301.14264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 170.8
[M+Na]+ 324.13186 179.0
[M-H]- 300.13536 173.3
[M+NH4]+ 319.17646 184.1
[M+K]+ 340.10580 174.2
[M+H-H2O]+ 284.13990 161.8
[M+HCOO]- 346.14084 186.6
[M+CH3COO]- 360.15649 201.5
[M+Na-2H]- 322.11731 171.6
[M]+ 301.14209 170.7
[M]- 301.14319 170.7
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

patents stripe