CID 46386808

Methyl 4-({[5-chloro-2-(pyridin-4-yl)-1h-indol-3-yl]carbamoyl}amino)benzoate

Structural Information

Molecular Formula
C22H17ClN4O3
SMILES
COC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4
InChI
InChI=1S/C22H17ClN4O3/c1-30-21(28)14-2-5-16(6-3-14)25-22(29)27-20-17-12-15(23)4-7-18(17)26-19(20)13-8-10-24-11-9-13/h2-12,26H,1H3,(H2,25,27,29)
InChIKey
WGBMKIGYHFSIHX-UHFFFAOYSA-N
Compound name
methyl 4-[(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0989 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.10618 198.5
[M+Na]+ 443.08812 213.2
[M+NH4]+ 438.13272 204.6
[M+K]+ 459.06206 207.3
[M-H]- 419.09162 203.9
[M+Na-2H]- 441.07357 207.2
[M]+ 420.09835 202.3
[M]- 420.09945 202.3
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.