CID 165361534

Mdmb-4en-pica

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCC=C
InChI
InChI=1S/C21H28N2O3/c1-6-7-10-13-23-14-16(15-11-8-9-12-17(15)23)19(24)22-18(20(25)26-5)21(2,3)4/h6,8-9,11-12,14,18H,1,7,10,13H2,2-5H3,(H,22,24)/t18-/m1/s1
InChIKey
DKAYJHYDQWJEBK-GOSISDBHSA-N
Compound name
methyl (2S)-3,3-dimethyl-2-[(1-pent-4-enylindole-3-carbonyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 190.3
[M+Na]+ 379.199218 196.0
[M-H]- 355.202724 193.3
[M+NH4]+ 374.243823 204.6
[M+K]+ 395.173158 192.4
[M+H-H2O]+ 339.207260 183.0
[M+HCOO]- 401.208201 209.2
[M+CH3COO]- 415.223851 218.8
[M+Na-2H]- 377.184666 190.4
[M]+ 356.20945142 195.5
[M]- 356.21054858 195.5
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.