CID 58422587

Schembl12265911

Structural Information

Molecular Formula
C46H42N4O8
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC(=C4)[N+](=O)[O-])OC)CC5=CC=C(C=C5)CN6C7=CC=CC=C7C(C68C=CC9=C(O8)C(=CC(=C9)[N+](=O)[O-])OC)(C)C)C
InChI
InChI=1S/C46H42N4O8/c1-43(2)35-11-7-9-13-37(35)47(45(43)21-19-31-23-33(49(51)52)25-39(55-5)41(31)57-45)27-29-15-17-30(18-16-29)28-48-38-14-10-8-12-36(38)44(3,4)46(48)22-20-32-24-34(50(53)54)26-40(56-6)42(32)58-46/h7-26H,27-28H2,1-6H3
InChIKey
YSXOQZNADUGMEE-UHFFFAOYSA-N
Compound name
8-methoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

778.3003 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.30758 281.0
[M+Na]+ 801.28952 296.7
[M+NH4]+ 796.33412 290.7
[M+K]+ 817.26346 258.6
[M-H]- 777.29302 293.7
[M+Na-2H]- 799.27497 265.1
[M]+ 778.29975 287.5
[M]- 778.30085 287.5
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

patents stripe