CID 388277

Nsc682918

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CN1C=C(C2=C(C=CC=C21)C#N)C3=CC=C(C=C3)CCOC4CCCCO4
InChI
InChI=1S/C23H24N2O2/c1-25-16-20(23-19(15-24)5-4-6-21(23)25)18-10-8-17(9-11-18)12-14-27-22-7-2-3-13-26-22/h4-6,8-11,16,22H,2-3,7,12-14H2,1H3
InChIKey
JTXWFGCXVHYEDK-UHFFFAOYSA-N
Compound name
1-methyl-3-[4-[2-(oxan-2-yloxy)ethyl]phenyl]indole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 188.1
[M+Na]+ 383.17300 198.0
[M-H]- 359.17650 194.8
[M+NH4]+ 378.21760 199.0
[M+K]+ 399.14694 189.3
[M+H-H2O]+ 343.18104 171.8
[M+HCOO]- 405.18198 202.9
[M+CH3COO]- 419.19763 196.6
[M+Na-2H]- 381.15845 188.8
[M]+ 360.18323 183.9
[M]- 360.18433 183.9
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.