CID 119304

Bw 245c

Structural Information

Molecular Formula
C19H32N2O5
SMILES
C1CCC(CC1)C(CCN2C(C(=O)NC2=O)CCCCCCC(=O)O)O
InChI
InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)
InChIKey
ZIDQIOZJEJFMOH-UHFFFAOYSA-N
Compound name
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

101
References

77
Patents

368.2311 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.238376 191.5
[M+Na]+ 391.220318 191.8
[M-H]- 367.223824 189.3
[M+NH4]+ 386.264923 200.1
[M+K]+ 407.194258 187.5
[M+H-H2O]+ 351.228360 183.2
[M+HCOO]- 413.229301 200.0
[M+CH3COO]- 427.244951 210.3
[M+Na-2H]- 389.205766 184.3
[M]+ 368.23055142 186.5
[M]- 368.23164858 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe