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 196.2
[M+Na]+ 438.13589 204.2
[M-H]- 414.13939 205.6
[M+NH4]+ 433.18049 207.2
[M+K]+ 454.10983 195.8
[M+H-H2O]+ 398.14393 187.0
[M+HCOO]- 460.14487 216.9
[M+CH3COO]- 474.16052 205.5
[M+Na-2H]- 436.12134 198.1
[M]+ 415.14612 196.8
[M]- 415.14722 196.8
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.