CID 15959001

Schembl12230022

Structural Information

Molecular Formula
C24H23ClN3O3P
SMILES
CCC1=CC(=CC=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=NC=C4)OC
InChI
InChI=1S/C24H23ClN3O3P/c1-3-16-5-4-6-19(13-16)32(30,31-2)23-20-14-18(25)7-8-21(20)28-22(23)24(29)27-15-17-9-11-26-12-10-17/h4-14,28H,3,15H2,1-2H3,(H,27,29)
InChIKey
KHUVHEJVSBSZPD-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-ethylphenyl)-methoxyphosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

467.11655 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.12383 211.8
[M+Na]+ 490.10577 219.1
[M-H]- 466.10927 217.8
[M+NH4]+ 485.15037 219.9
[M+K]+ 506.07971 211.8
[M+H-H2O]+ 450.11381 199.1
[M+HCOO]- 512.11475 230.9
[M+CH3COO]- 526.13040 233.2
[M+Na-2H]- 488.09122 210.8
[M]+ 467.11600 216.7
[M]- 467.11710 216.7
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