CID 16107187

Sigamide

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CC(C)[C@@H](C(=O)NC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N(C)C=O
InChI
InChI=1S/C21H34N2O2/c1-14(2)18(23(9)13-24)19(25)22-17-11-15(20(3,4)5)10-16(12-17)21(6,7)8/h10-14,18H,1-9H3,(H,22,25)/t18-/m0/s1
InChIKey
OVKNTNIBDGTNQY-SFHVURJKSA-N
Compound name
(2S)-N-(3,5-ditert-butylphenyl)-2-[formyl(methyl)amino]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

346.26202 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 186.4
[M+Na]+ 369.25124 189.8
[M-H]- 345.25474 190.9
[M+NH4]+ 364.29584 200.3
[M+K]+ 385.22518 189.2
[M+H-H2O]+ 329.25928 179.9
[M+HCOO]- 391.26022 204.3
[M+CH3COO]- 405.27587 226.7
[M+Na-2H]- 367.23669 185.5
[M]+ 346.26147 189.7
[M]- 346.26257 189.7
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