CID 15959012

Schembl12229889

Structural Information

Molecular Formula
C19H18ClN2O3P
SMILES
COP(=O)(C1=CC=CC(=C1)C2CC2)C3=C(NC4=C3C=C(C=C4)Cl)C(=O)N
InChI
InChI=1S/C19H18ClN2O3P/c1-25-26(24,14-4-2-3-12(9-14)11-5-6-11)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h2-4,7-11,22H,5-6H2,1H3,(H2,21,23)
InChIKey
MVOHPHSODKFQFY-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

388.07437 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08165 183.4
[M+Na]+ 411.06359 193.7
[M-H]- 387.06709 190.9
[M+NH4]+ 406.10819 192.0
[M+K]+ 427.03753 186.1
[M+H-H2O]+ 371.07163 174.6
[M+HCOO]- 433.07257 204.4
[M+CH3COO]- 447.08822 220.2
[M+Na-2H]- 409.04904 182.8
[M]+ 388.07382 189.3
[M]- 388.07492 189.3
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