CID 135705553

Brn 0454950

Structural Information

Molecular Formula
C23H21N5S
SMILES
CC1=CC(=CC=C1)C2=C3C(=CC=C2)NC(=C3/C=N/NC(=S)N)C4=CC(=CC=C4)N
InChI
InChI=1S/C23H21N5S/c1-14-5-2-6-15(11-14)18-9-4-10-20-21(18)19(13-26-28-23(25)29)22(27-20)16-7-3-8-17(24)12-16/h2-13,27H,24H2,1H3,(H3,25,28,29)/b26-13+
InChIKey
LIVCFOQGNIEPBU-LGJNPRDNSA-N
Compound name
[(E)-[2-(3-aminophenyl)-4-(3-methylphenyl)-1H-indol-3-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.15176 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15904 195.1
[M+Na]+ 422.14098 208.0
[M+NH4]+ 417.18558 202.8
[M+K]+ 438.11492 199.3
[M-H]- 398.14448 203.6
[M+Na-2H]- 420.12643 204.2
[M]+ 399.15121 199.7
[M]- 399.15231 199.7
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.