CID 300262

Nsc174603

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=C(C2(C1(C3C2(N(C=N3)C(=O)OC)C)C)C)C
InChI
InChI=1S/C14H20N2O2/c1-8-9(2)13(4)12(8,3)10-14(13,5)16(7-15-10)11(17)18-6/h7,10H,1-6H3
InChIKey
VKKNOGRYQAHSRF-UHFFFAOYSA-N
Compound name
methyl 2,3,4,5,6-pentamethyl-7,9-diazatricyclo[4.3.0.02,5]nona-3,8-diene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.7
[M+Na]+ 271.141698 168.7
[M-H]- 247.145204 164.0
[M+NH4]+ 266.186303 171.4
[M+K]+ 287.115638 171.0
[M+H-H2O]+ 231.149740 149.3
[M+HCOO]- 293.150681 175.1
[M+CH3COO]- 307.166331 208.1
[M+Na-2H]- 269.127146 163.5
[M]+ 248.15193142 181.9
[M]- 248.15302858 181.9
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.