CID 53422916

27713-85-5

Structural Information

Molecular Formula
C31H34N2O
SMILES
CC1(C2=CC=CC=C2N(C1=CC=C3CCC(=CC=C4C(C5=CC=CC=C5N4C)(C)C)C3=O)C)C
InChI
InChI=1S/C31H34N2O/c1-30(2)23-11-7-9-13-25(23)32(5)27(30)19-17-21-15-16-22(29(21)34)18-20-28-31(3,4)24-12-8-10-14-26(24)33(28)6/h7-14,17-20H,15-16H2,1-6H3
InChIKey
SIWKBGVGJRAPKY-UHFFFAOYSA-N
Compound name
2,5-bis[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

450.26712 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27440 215.9
[M+Na]+ 473.25634 225.5
[M-H]- 449.25984 225.5
[M+NH4]+ 468.30094 234.3
[M+K]+ 489.23028 214.9
[M+H-H2O]+ 433.26438 208.0
[M+HCOO]- 495.26532 230.5
[M+CH3COO]- 509.28097 224.7
[M+Na-2H]- 471.24179 206.8
[M]+ 450.26657 214.8
[M]- 450.26767 214.8
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

patents stripe