CID 55792

Brn 5655681

Structural Information

Molecular Formula
C25H31N3O3
SMILES
CC1=CC2=C(C=C1)N(C(=O)C2(CN3CCOCC3)C4=CC=CC=C4)CN5CCOCC5
InChI
InChI=1S/C25H31N3O3/c1-20-7-8-23-22(17-20)25(21-5-3-2-4-6-21,18-26-9-13-30-14-10-26)24(29)28(23)19-27-11-15-31-16-12-27/h2-8,17H,9-16,18-19H2,1H3
InChIKey
NLOHYLJMAJQRBG-UHFFFAOYSA-N
Compound name
5-methyl-1,3-bis(morpholin-4-ylmethyl)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.23654 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24382 205.2
[M+Na]+ 444.22576 208.6
[M-H]- 420.22926 213.8
[M+NH4]+ 439.27036 211.7
[M+K]+ 460.19970 204.7
[M+H-H2O]+ 404.23380 191.9
[M+HCOO]- 466.23474 213.3
[M+CH3COO]- 480.25039 211.5
[M+Na-2H]- 442.21121 203.0
[M]+ 421.23599 199.9
[M]- 421.23709 199.9
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.