CID 15959014

Schembl12229907

Structural Information

Molecular Formula
C20H22ClN2O3P
SMILES
CC(C)(C)C1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC
InChI
InChI=1S/C20H22ClN2O3P/c1-20(2,3)12-6-5-7-14(10-12)27(25,26-4)18-15-11-13(21)8-9-16(15)23-17(18)19(22)24/h5-11,23H,1-4H3,(H2,22,24)
InChIKey
OLNCLWPBWOWFST-UHFFFAOYSA-N
Compound name
3-[(3-tert-butylphenyl)-methoxyphosphoryl]-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

404.10565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11293 198.0
[M+Na]+ 427.09487 206.8
[M-H]- 403.09837 202.6
[M+NH4]+ 422.13947 210.9
[M+K]+ 443.06881 200.9
[M+H-H2O]+ 387.10291 189.0
[M+HCOO]- 449.10385 216.7
[M+CH3COO]- 463.11950 222.7
[M+Na-2H]- 425.08032 197.4
[M]+ 404.10510 202.8
[M]- 404.10620 202.8
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