CID 15958947

Schembl12229848

Structural Information

Molecular Formula
C18H18ClN2O3P
SMILES
CCOP(=O)(C1=CC=C(C=C1)C)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C18H18ClN2O3P/c1-3-24-25(23,13-7-4-11(2)5-8-13)17-14-10-12(19)6-9-15(14)21-16(17)18(20)22/h4-10,21H,3H2,1-2H3,(H2,20,22)
InChIKey
TZSBLDGSBDNZQF-UHFFFAOYSA-N
Compound name
5-chloro-3-[ethoxy-(4-methylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

376.07437 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08165 187.6
[M+Na]+ 399.06359 196.9
[M-H]- 375.06709 192.0
[M+NH4]+ 394.10819 201.5
[M+K]+ 415.03753 190.6
[M+H-H2O]+ 359.07163 178.3
[M+HCOO]- 421.07257 208.6
[M+CH3COO]- 435.08822 217.0
[M+Na-2H]- 397.04904 186.6
[M]+ 376.07382 192.2
[M]- 376.07492 192.2
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

patents stripe