CID 135452592

Nsc-328474

Structural Information

Molecular Formula
C18H17NO
SMILES
CC1(C2=CC=CC=C2N=C1/C=C\C3=CC=C(C=C3)O)C
InChI
InChI=1S/C18H17NO/c1-18(2)15-5-3-4-6-16(15)19-17(18)12-9-13-7-10-14(20)11-8-13/h3-12,20H,1-2H3/b12-9-
InChIKey
CZJQSLCPKVIHSO-XFXZXTDPSA-N
Compound name
4-[(Z)-2-(3,3-dimethylindol-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.131 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 162.1
[M+Na]+ 286.12022 172.2
[M-H]- 262.12372 167.9
[M+NH4]+ 281.16482 182.0
[M+K]+ 302.09416 165.8
[M+H-H2O]+ 246.12826 154.8
[M+HCOO]- 308.12920 183.5
[M+CH3COO]- 322.14485 174.7
[M+Na-2H]- 284.10567 166.8
[M]+ 263.13045 162.9
[M]- 263.13155 162.9
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.