CID 3077200

133994-65-7

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=O)C2=C3CC(=O)NC3=CC=C2)O
InChI
InChI=1S/C22H26N2O4/c1-22(2,3)23-12-14(25)13-28-19-10-5-4-7-16(19)21(27)15-8-6-9-18-17(15)11-20(26)24-18/h4-10,14,23,25H,11-13H2,1-3H3,(H,24,26)
InChIKey
HTPHEYICKAOXII-UHFFFAOYSA-N
Compound name
4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoyl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

382.18927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.196546 192.7
[M+Na]+ 405.178488 196.6
[M-H]- 381.181994 195.9
[M+NH4]+ 400.223093 203.8
[M+K]+ 421.152428 192.1
[M+H-H2O]+ 365.186530 185.0
[M+HCOO]- 427.187471 207.6
[M+CH3COO]- 441.203121 218.5
[M+Na-2H]- 403.163936 192.8
[M]+ 382.18872142 192.5
[M]- 382.18981858 192.5
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