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]+ 400.25948 199.4
[M+Na]+ 422.24142 202.9
[M-H]- 398.24492 205.9
[M+NH4]+ 417.28602 206.8
[M+K]+ 438.21536 198.5
[M+H-H2O]+ 382.24946 187.0
[M+HCOO]- 444.25040 205.2
[M+CH3COO]- 458.26605 205.4
[M+Na-2H]- 420.22687 197.3
[M]+ 399.25165 191.2
[M]- 399.25275 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.