CID 361904

Nsc625316

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1=CC(=CC2=C1N3CC4=C(C(=CC(=C4)OC)C)N(C2)C3)OC
InChI
InChI=1S/C19H22N2O2/c1-12-5-16(22-3)7-14-9-21-11-20(18(12)14)10-15-8-17(23-4)6-13(2)19(15)21/h5-8H,9-11H2,1-4H3
InChIKey
JLHJRMAJUMSEBE-UHFFFAOYSA-N
Compound name
5,13-dimethoxy-3,11-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.9
[M+Na]+ 333.15734 185.1
[M-H]- 309.16084 177.8
[M+NH4]+ 328.20194 192.1
[M+K]+ 349.13128 180.0
[M+H-H2O]+ 293.16538 166.4
[M+HCOO]- 355.16632 189.0
[M+CH3COO]- 369.18197 186.0
[M+Na-2H]- 331.14279 181.3
[M]+ 310.16757 178.8
[M]- 310.16867 178.8
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.