CID 215227

2h,6h-pyrido(1'',2'':3',4')imidazo(1',5':1,2)pyrido(3,4-b)indole, 1,3,4,8,9,14,14b,14c-octahydro-14-methyl-6-phenyl-

Structural Information

Molecular Formula
C24H27N3
SMILES
CN1C2=CC=CC=C2C3=C1C4C5CCCCN5C(N4CC3)C6=CC=CC=C6
InChI
InChI=1S/C24H27N3/c1-25-20-12-6-5-11-18(20)19-14-16-27-23(22(19)25)21-13-7-8-15-26(21)24(27)17-9-3-2-4-10-17/h2-6,9-12,21,23-24H,7-8,13-16H2,1H3
InChIKey
ILONIXXRFPKXHJ-UHFFFAOYSA-N
Compound name
20-methyl-9-phenyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 188.4
[M+Na]+ 380.20972 195.8
[M-H]- 356.21322 194.0
[M+NH4]+ 375.25432 204.2
[M+K]+ 396.18366 187.1
[M+H-H2O]+ 340.21776 177.3
[M+HCOO]- 402.21870 199.7
[M+CH3COO]- 416.23435 196.8
[M+Na-2H]- 378.19517 187.1
[M]+ 357.21995 184.6
[M]- 357.22105 184.6
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.