CID 499640

Nsc692359

Structural Information

Molecular Formula
C22H22N2O4
SMILES
COC(=O)CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(=O)OC
InChI
InChI=1S/C22H22N2O4/c1-27-19(25)11-15-13-7-3-5-9-17(13)23-21(15)22-16(12-20(26)28-2)14-8-4-6-10-18(14)24-22/h3-10,15,21,23-24H,11-12H2,1-2H3
InChIKey
SXRCIANNDWDFLB-UHFFFAOYSA-N
Compound name
methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.15796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16524 191.0
[M+Na]+ 401.14718 198.4
[M-H]- 377.15068 195.2
[M+NH4]+ 396.19178 204.4
[M+K]+ 417.12112 192.7
[M+H-H2O]+ 361.15522 183.2
[M+HCOO]- 423.15616 207.1
[M+CH3COO]- 437.17181 200.2
[M+Na-2H]- 399.13263 189.4
[M]+ 378.15741 193.8
[M]- 378.15851 193.8
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

No patent data available for this compound.