CID 490925

D-serine, n-[[1-cyclohexyl-2-(2-pyridinyl)-1h-benzimidazol-5-yl]carbonyl]-

Structural Information

Molecular Formula
C22H24N4O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@H](CO)C(=O)O)N=C2C4=CC=CC=N4
InChI
InChI=1S/C22H24N4O4/c27-13-18(22(29)30)25-21(28)14-9-10-19-17(12-14)24-20(16-8-4-5-11-23-16)26(19)15-6-2-1-3-7-15/h4-5,8-12,15,18,27H,1-3,6-7,13H2,(H,25,28)(H,29,30)/t18-/m1/s1
InChIKey
MXIJLQDQRKOIRR-GOSISDBHSA-N
Compound name
(2R)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.17975 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18703 193.8
[M+Na]+ 431.16897 196.9
[M-H]- 407.17247 197.5
[M+NH4]+ 426.21357 200.1
[M+K]+ 447.14291 191.8
[M+H-H2O]+ 391.17701 183.0
[M+HCOO]- 453.17795 206.4
[M+CH3COO]- 467.19360 200.2
[M+Na-2H]- 429.15442 193.4
[M]+ 408.17920 190.5
[M]- 408.18030 190.5
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

No patent data available for this compound.