CID 372679

Nsc648212

Structural Information

Molecular Formula
C23H24N2
SMILES
CC1(CC(C2=C1N(C3=CC=CC=C32)C)C4=CC5=CC=CC=C5N4C)C
InChI
InChI=1S/C23H24N2/c1-23(2)14-17(20-13-15-9-5-7-11-18(15)24(20)3)21-16-10-6-8-12-19(16)25(4)22(21)23/h5-13,17H,14H2,1-4H3
InChIKey
XBXVJTRNSNPOAB-UHFFFAOYSA-N
Compound name
3,3,4-trimethyl-1-(1-methylindol-2-yl)-1,2-dihydrocyclopenta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20122 182.0
[M+Na]+ 351.18316 195.9
[M-H]- 327.18666 191.6
[M+NH4]+ 346.22776 204.9
[M+K]+ 367.15710 188.2
[M+H-H2O]+ 311.19120 174.7
[M+HCOO]- 373.19214 203.8
[M+CH3COO]- 387.20779 195.2
[M+Na-2H]- 349.16861 181.8
[M]+ 328.19339 188.1
[M]- 328.19449 188.1
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.