CID 9579161

1-(benzothiophen-7-yl)-n-methyl-n-[(z)-[4-(1-methyl-1-phenyl-ethyl)phenyl]methyleneamino]methanamine

Structural Information

Molecular Formula
C26H26N2S
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)/C=N\N(C)CC3=CC=CC4=C3SC=C4
InChI
InChI=1S/C26H26N2S/c1-26(2,23-10-5-4-6-11-23)24-14-12-20(13-15-24)18-27-28(3)19-22-9-7-8-21-16-17-29-25(21)22/h4-18H,19H2,1-3H3/b27-18-
InChIKey
KQAJQIOZPQXBEM-IMRQLAEWSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-methyl-N-[(Z)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.18167 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18895 199.9
[M+Na]+ 421.17089 207.0
[M-H]- 397.17439 212.9
[M+NH4]+ 416.21549 214.8
[M+K]+ 437.14483 200.5
[M+H-H2O]+ 381.17893 190.4
[M+HCOO]- 443.17987 221.1
[M+CH3COO]- 457.19552 210.5
[M+Na-2H]- 419.15634 202.9
[M]+ 398.18112 205.0
[M]- 398.18222 205.0
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.