CID 15958931

Schembl12229829

Structural Information

Molecular Formula
C19H20ClN2O3P
SMILES
CCOP(=O)(C1=CC(=CC(=C1)C)C)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C19H20ClN2O3P/c1-4-25-26(24,14-8-11(2)7-12(3)9-14)18-15-10-13(20)5-6-16(15)22-17(18)19(21)23/h5-10,22H,4H2,1-3H3,(H2,21,23)
InChIKey
IMXAVHSMJXDJTI-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3,5-dimethylphenyl)-ethoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

390.09 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09728 192.4
[M+Na]+ 413.07922 202.2
[M-H]- 389.08272 197.1
[M+NH4]+ 408.12382 206.0
[M+K]+ 429.05316 195.8
[M+H-H2O]+ 373.08726 183.2
[M+HCOO]- 435.08820 213.1
[M+CH3COO]- 449.10385 221.2
[M+Na-2H]- 411.06467 190.2
[M]+ 390.08945 197.8
[M]- 390.09055 197.8
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