CID 388077

Nsc682540

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C(=O)N)C
InChI
InChI=1S/C16H21N3O2/c1-15(2)10(13(17)20)8-9-16(3,21-15)14-18-11-6-4-5-7-12(11)19-14/h4-7,10H,8-9H2,1-3H3,(H2,17,20)(H,18,19)
InChIKey
VPGICDLUPFNKAY-UHFFFAOYSA-N
Compound name
6-(1H-benzimidazol-2-yl)-2,2,6-trimethyloxane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

287.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 166.5
[M+Na]+ 310.15262 175.2
[M-H]- 286.15612 170.9
[M+NH4]+ 305.19722 184.0
[M+K]+ 326.12656 171.7
[M+H-H2O]+ 270.16066 159.1
[M+HCOO]- 332.16160 183.0
[M+CH3COO]- 346.17725 177.6
[M+Na-2H]- 308.13807 170.7
[M]+ 287.16285 164.8
[M]- 287.16395 164.8
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.