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
2
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]+ 357.21728 190.3
[M+Na]+ 379.19922 196.0
[M-H]- 355.20272 193.3
[M+NH4]+ 374.24382 204.6
[M+K]+ 395.17316 192.4
[M+H-H2O]+ 339.20726 183.0
[M+HCOO]- 401.20820 209.2
[M+CH3COO]- 415.22385 218.8
[M+Na-2H]- 377.18467 190.4
[M]+ 356.20945 195.5
[M]- 356.21055 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.