CID 125181404

Mdmb-chmica

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CC3CCCCC3
InChI
InChI=1S/C23H32N2O3/c1-23(2,3)20(22(27)28-4)24-21(26)18-15-25(14-16-10-6-5-7-11-16)19-13-9-8-12-17(18)19/h8-9,12-13,15-16,20H,5-7,10-11,14H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKey
SRJKCVHWIDFUBO-HXUWFJFHSA-N
Compound name
methyl (2S)-2-[[1-(cyclohexylmethyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

27
Patents

384.2413 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 194.0
[M+Na]+ 407.23052 202.5
[M+NH4]+ 402.27512 199.7
[M+K]+ 423.20446 199.3
[M-H]- 383.23402 195.8
[M+Na-2H]- 405.21597 197.5
[M]+ 384.24075 195.4
[M]- 384.24185 195.4
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