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]+ 249.15976 159.7
[M+Na]+ 271.14170 168.7
[M-H]- 247.14520 164.0
[M+NH4]+ 266.18630 171.4
[M+K]+ 287.11564 171.0
[M+H-H2O]+ 231.14974 149.3
[M+HCOO]- 293.15068 175.1
[M+CH3COO]- 307.16633 208.1
[M+Na-2H]- 269.12715 163.5
[M]+ 248.15193 181.9
[M]- 248.15303 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.