CID 383116

Nsc671160

Structural Information

Molecular Formula
C27H30N4O4
SMILES
COC1=C2C=CC(=C1)C=NCCNCCN=CC3=CC(=C(C=C3)OCC4=CC=CC(=N4)CO2)OC
InChI
InChI=1S/C27H30N4O4/c1-32-26-14-20-6-8-24(26)34-18-22-4-3-5-23(31-22)19-35-25-9-7-21(15-27(25)33-2)17-30-13-11-28-10-12-29-16-20/h3-9,14-17,28H,10-13,18-19H2,1-2H3
InChIKey
SVYDPNFMXNMMCA-UHFFFAOYSA-N
Compound name
12,26-dimethoxy-2,10-dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(26),4(31),5,7,11,13,15,22,24,27,29-undecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.2267 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23398 193.2
[M+Na]+ 497.21592 181.9
[M-H]- 473.21942 168.5
[M+NH4]+ 492.26052 191.4
[M+K]+ 513.18986 188.0
[M+H-H2O]+ 457.22396 187.8
[M+HCOO]- 519.22490 178.7
[M+CH3COO]- 533.24055 186.5
[M+Na-2H]- 495.20137 199.1
[M]+ 474.22615 189.7
[M]- 474.22725 189.7
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.