CID 315013

Nsc237036

Structural Information

Molecular Formula
C22H21N3O
SMILES
CN1C2=CC=CC=C2C=C1C(CC3=CC=CC=N3)(CC4=CC=CC=N4)O
InChI
InChI=1S/C22H21N3O/c1-25-20-11-3-2-8-17(20)14-21(25)22(26,15-18-9-4-6-12-23-18)16-19-10-5-7-13-24-19/h2-14,26H,15-16H2,1H3
InChIKey
KNYCWKJLEHJQHB-UHFFFAOYSA-N
Compound name
2-(1-methylindol-2-yl)-1,3-dipyridin-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 184.7
[M+Na]+ 366.15768 192.9
[M-H]- 342.16118 190.3
[M+NH4]+ 361.20228 195.4
[M+K]+ 382.13162 185.3
[M+H-H2O]+ 326.16572 173.8
[M+HCOO]- 388.16666 202.3
[M+CH3COO]- 402.18231 194.2
[M+Na-2H]- 364.14313 190.6
[M]+ 343.16791 185.8
[M]- 343.16901 185.8
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.