CID 135705552

Indole-3-carboxaldehyde, 2-(m-aminophenyl)-, 4-(o-methoxyphenyl)-3-thiosemicarbazone

Structural Information

Molecular Formula
C23H21N5OS
SMILES
COC1=CC=CC=C1C2=C3C(=CC=C2)NC(=C3/C=N/NC(=S)N)C4=CC(=CC=C4)N
InChI
InChI=1S/C23H21N5OS/c1-29-20-11-3-2-8-16(20)17-9-5-10-19-21(17)18(13-26-28-23(25)30)22(27-19)14-6-4-7-15(24)12-14/h2-13,27H,24H2,1H3,(H3,25,28,30)/b26-13+
InChIKey
PWFRONWUTGPTBA-LGJNPRDNSA-N
Compound name
[(E)-[2-(3-aminophenyl)-4-(2-methoxyphenyl)-1H-indol-3-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15395 198.3
[M+Na]+ 438.13589 210.7
[M+NH4]+ 433.18049 205.4
[M+K]+ 454.10983 202.5
[M-H]- 414.13939 206.4
[M+Na-2H]- 436.12134 207.1
[M]+ 415.14612 202.6
[M]- 415.14722 202.6
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.