CID 148806

Nbp-802

Structural Information

Molecular Formula
C18H29N3O4
SMILES
CCNC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C
InChI
InChI=1S/C18H29N3O4/c1-6-19-17(24)21-13-7-8-16(15(9-13)12(2)22)25-11-14(23)10-20-18(3,4)5/h7-9,14,20,23H,6,10-11H2,1-5H3,(H2,19,21,24)
InChIKey
ISAGWVHNBWLXLM-UHFFFAOYSA-N
Compound name
1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.21582 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22310 186.6
[M+Na]+ 374.20504 188.9
[M-H]- 350.20854 188.2
[M+NH4]+ 369.24964 198.1
[M+K]+ 390.17898 187.6
[M+H-H2O]+ 334.21308 179.0
[M+HCOO]- 396.21402 206.4
[M+CH3COO]- 410.22967 221.4
[M+Na-2H]- 372.19049 186.6
[M]+ 351.21527 188.0
[M]- 351.21637 188.0
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