CID 340297

Nsc370613

Structural Information

Molecular Formula
C23H24N2O2
SMILES
COC1=C(C2=C3C4C(CCCN4CCC3=C1)C5=C2NC6=CC=CC=C65)OC
InChI
InChI=1S/C23H24N2O2/c1-26-17-12-13-9-11-25-10-5-7-15-19-14-6-3-4-8-16(14)24-21(19)20(23(17)27-2)18(13)22(15)25/h3-4,6,8,12,15,22,24H,5,7,9-11H2,1-2H3
InChIKey
JSWHPWDJHXROFD-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-8,20-diazahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(22),2,4,13(21),14,16,18-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 184.8
[M+Na]+ 383.17300 192.0
[M-H]- 359.17650 186.7
[M+NH4]+ 378.21760 200.9
[M+K]+ 399.14694 184.6
[M+H-H2O]+ 343.18104 174.4
[M+HCOO]- 405.18198 193.7
[M+CH3COO]- 419.19763 192.9
[M+Na-2H]- 381.15845 188.5
[M]+ 360.18323 185.3
[M]- 360.18433 185.3
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.