CID 15959002

Schembl12230036

Structural Information

Molecular Formula
C21H23ClN3O4P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCN4CCOCC4
InChI
InChI=1S/C21H23ClN3O4P/c1-28-30(27,16-5-3-2-4-6-16)20-17-13-15(22)7-8-18(17)24-19(20)21(26)23-14-25-9-11-29-12-10-25/h2-8,13,24H,9-12,14H2,1H3,(H,23,26)
InChIKey
JKZSEYSKDGAVSW-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(morpholin-4-ylmethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

447.11148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.11876 203.3
[M+Na]+ 470.10070 208.2
[M-H]- 446.10420 208.9
[M+NH4]+ 465.14530 210.5
[M+K]+ 486.07464 203.6
[M+H-H2O]+ 430.10874 191.1
[M+HCOO]- 492.10968 218.6
[M+CH3COO]- 506.12533 226.9
[M+Na-2H]- 468.08615 202.4
[M]+ 447.11093 204.7
[M]- 447.11203 204.7
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