CID 6434803

Crotonanilide, n-sec-butyl-p-(sec-butylamino)-

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCC(C)NC1=CC=C(C=C1)N(C(C)CC)C(=O)/C=C/C
InChI
InChI=1S/C18H28N2O/c1-6-9-18(21)20(15(5)8-3)17-12-10-16(11-13-17)19-14(4)7-2/h6,9-15,19H,7-8H2,1-5H3/b9-6+
InChIKey
WZKGCXKCQYMMLI-RMKNXTFCSA-N
Compound name
(E)-N-butan-2-yl-N-[4-(butan-2-ylamino)phenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 175.6
[M+Na]+ 311.209368 178.5
[M-H]- 287.212874 179.6
[M+NH4]+ 306.253973 191.3
[M+K]+ 327.183308 176.6
[M+H-H2O]+ 271.217410 167.9
[M+HCOO]- 333.218351 197.3
[M+CH3COO]- 347.234001 214.4
[M+Na-2H]- 309.194816 174.3
[M]+ 288.21960142 176.9
[M]- 288.22069858 176.9
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.