CID 392793

Nsc693714

Structural Information

Molecular Formula
C22H24N2
SMILES
CCCC1=C(C2=CC=CC=C2N1)C3=C(NC4=CC=CC=C43)CCC
InChI
InChI=1S/C22H24N2/c1-3-9-19-21(15-11-5-7-13-17(15)23-19)22-16-12-6-8-14-18(16)24-20(22)10-4-2/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3
InChIKey
DQPQLUBLJYSDMS-UHFFFAOYSA-N
Compound name
2-propyl-3-(2-propyl-1H-indol-3-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 178.5
[M+Na]+ 339.18316 189.0
[M-H]- 315.18666 183.0
[M+NH4]+ 334.22776 195.3
[M+K]+ 355.15710 180.0
[M+H-H2O]+ 299.19120 170.6
[M+HCOO]- 361.19214 198.5
[M+CH3COO]- 375.20779 189.5
[M+Na-2H]- 337.16861 180.3
[M]+ 316.19339 181.4
[M]- 316.19449 181.4
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.