CID 460854

Methyl-(3-methylbut-2-enyl)-oxo-[?]carboxamide

Structural Information

Molecular Formula
C17H22N4O2
SMILES
C[C@H]1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C(=O)N)NC2=O
InChI
InChI=1S/C17H22N4O2/c1-10(2)6-7-20-9-13-12(16(18)22)4-5-14-15(13)21(8-11(20)3)17(23)19-14/h4-6,11H,7-9H2,1-3H3,(H2,18,22)(H,19,23)/t11-/m0/s1
InChIKey
IUSMZPSMHFLRLY-NSHDSACASA-N
Compound name
(11S)-11-methyl-10-(3-methylbut-2-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.6
[M+Na]+ 337.16352 184.9
[M-H]- 313.16702 178.3
[M+NH4]+ 332.20812 190.2
[M+K]+ 353.13746 183.4
[M+H-H2O]+ 297.17156 168.5
[M+HCOO]- 359.17250 191.3
[M+CH3COO]- 373.18815 211.0
[M+Na-2H]- 335.14897 176.6
[M]+ 314.17375 174.7
[M]- 314.17485 174.7
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.