CID 3085901

72953-47-0

Structural Information

Molecular Formula
C27H24N2
SMILES
CC1=CN(C2=CC=CC=C12)C(C=CC3=CC=CC=C3)N4C=C(C5=CC=CC=C54)C
InChI
InChI=1S/C27H24N2/c1-20-18-28(25-14-8-6-12-23(20)25)27(17-16-22-10-4-3-5-11-22)29-19-21(2)24-13-7-9-15-26(24)29/h3-19,27H,1-2H3
InChIKey
FAZLGHBIJNVKRT-UHFFFAOYSA-N
Compound name
3-methyl-1-[1-(3-methylindol-1-yl)-3-phenylprop-2-enyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.19394 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20122 196.0
[M+Na]+ 399.18316 206.2
[M-H]- 375.18666 206.1
[M+NH4]+ 394.22776 210.8
[M+K]+ 415.15710 197.1
[M+H-H2O]+ 359.19120 185.9
[M+HCOO]- 421.19214 217.4
[M+CH3COO]- 435.20779 206.7
[M+Na-2H]- 397.16861 196.4
[M]+ 376.19339 199.8
[M]- 376.19449 199.8
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

No patent data available for this compound.