CID 65770

Bumecaine

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCCCN1CCCC1C(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)
InChIKey
VEPZOLKTNZOTTQ-UHFFFAOYSA-N
Compound name
1-butyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

261
Patents

288.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 173.1
[M+Na]+ 311.209368 178.7
[M-H]- 287.212874 178.1
[M+NH4]+ 306.253973 189.5
[M+K]+ 327.183308 174.7
[M+H-H2O]+ 271.217410 165.2
[M+HCOO]- 333.218351 193.1
[M+CH3COO]- 347.234001 208.2
[M+Na-2H]- 309.194816 170.9
[M]+ 288.21960142 172.9
[M]- 288.22069858 172.9
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