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 196.6
[M+Na]+ 443.08812 204.8
[M-H]- 419.09162 204.3
[M+NH4]+ 438.13272 206.1
[M+K]+ 459.06206 197.6
[M+H-H2O]+ 403.09616 186.7
[M+HCOO]- 465.09710 213.7
[M+CH3COO]- 479.11275 205.8
[M+Na-2H]- 441.07357 199.7
[M]+ 420.09835 200.2
[M]- 420.09945 200.2
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.