CID 374568

Nsc652542

Structural Information

Molecular Formula
C62H56N2O6
SMILES
COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCCCOC4=CC=C(C=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=C(C=C8)OCCCCN9C1=C(C=C(C=C1)OC)C1=C9C=CC(=C1)OC
InChI
InChI=1S/C62H56N2O6/c1-65-45-25-29-57-53(37-45)54-38-46(66-2)26-30-58(54)63(57)33-9-11-35-69-43-21-17-41(18-22-43)61-49-13-5-7-15-51(49)62(52-16-8-6-14-50(52)61)42-19-23-44(24-20-42)70-36-12-10-34-64-59-31-27-47(67-3)39-55(59)56-40-48(68-4)28-32-60(56)64/h5-8,13-32,37-40H,9-12,33-36H2,1-4H3
InChIKey
BQKSCNPRXDASGM-UHFFFAOYSA-N
Compound name
9-[4-[4-[10-[4-[4-(3,6-dimethoxycarbazol-9-yl)butoxy]phenyl]anthracen-9-yl]phenoxy]butyl]-3,6-dimethoxycarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

924.4138 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 925.42108 315.1
[M+Na]+ 947.40302 316.6
[M-H]- 923.40652 329.9
[M+NH4]+ 942.44762 307.7
[M+K]+ 963.37696 311.1
[M+H-H2O]+ 907.41106 293.7
[M+HCOO]- 969.41200 322.8
[M+CH3COO]- 983.42765 313.3
[M+Na-2H]- 945.38847 307.2
[M]+ 924.41325 325.5
[M]- 924.41435 325.5
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.