CID 507335

Zinc03649196

Structural Information

Molecular Formula
C19H17ClN2O3
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=CC=CC=C3N2)Cl
InChI
InChI=1S/C19H17ClN2O3/c1-11(2)25-19(24)14-10-13(7-8-15(14)20)21-18(23)17-9-12-5-3-4-6-16(12)22-17/h3-11,22H,1-2H3,(H,21,23)
InChIKey
WYUOUGWAJOMWAM-UHFFFAOYSA-N
Compound name
propan-2-yl 2-chloro-5-(1H-indole-2-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.09277 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10005 182.0
[M+Na]+ 379.08199 190.3
[M-H]- 355.08549 187.7
[M+NH4]+ 374.12659 196.2
[M+K]+ 395.05593 184.3
[M+H-H2O]+ 339.09003 174.6
[M+HCOO]- 401.09097 198.3
[M+CH3COO]- 415.10662 212.4
[M+Na-2H]- 377.06744 182.9
[M]+ 356.09222 186.3
[M]- 356.09332 186.3
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.