CID 13370197

2h-benzimidazol-2-one, 1,3-dihydro-1-(1-(5-methyl-1,4-dioxaspiro(5.5)undec-3-ylmethyl)-4-piperidinyl)-, (e)-2-butenedioate

Structural Information

Molecular Formula
C23H33N3O3
SMILES
CC1C2(CCCCC2)OCC(O1)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C23H33N3O3/c1-17-23(11-5-2-6-12-23)28-16-19(29-17)15-25-13-9-18(10-14-25)26-21-8-4-3-7-20(21)24-22(26)27/h3-4,7-8,17-19H,2,5-6,9-16H2,1H3,(H,24,27)
InChIKey
TZPBKAPPBNJKGE-UHFFFAOYSA-N
Compound name
3-[1-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.2522 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.259476 199.4
[M+Na]+ 422.241418 202.9
[M-H]- 398.244924 205.9
[M+NH4]+ 417.286023 206.8
[M+K]+ 438.215358 198.5
[M+H-H2O]+ 382.249460 187.0
[M+HCOO]- 444.250401 205.2
[M+CH3COO]- 458.266051 205.4
[M+Na-2H]- 420.226866 197.3
[M]+ 399.25165142 191.2
[M]- 399.25274858 191.2
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.