CID 86576621

1-amino-3-[(e)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyleneamino]thiourea

Structural Information

Molecular Formula
C18H19N5OS
SMILES
COC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N/NC(=S)NN
InChI
InChI=1S/C18H19N5OS/c1-24-15-8-6-13(7-9-15)11-23-12-14(10-20-22-18(25)21-19)16-4-2-3-5-17(16)23/h2-10,12H,11,19H2,1H3,(H2,21,22,25)/b20-10+
InChIKey
HMBDOKSJXTXTRV-KEBDBYFISA-N
Compound name
1-amino-3-[(E)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.13104 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13832 179.5
[M+Na]+ 376.12026 187.1
[M-H]- 352.12376 187.2
[M+NH4]+ 371.16486 194.0
[M+K]+ 392.09420 181.1
[M+H-H2O]+ 336.12830 170.5
[M+HCOO]- 398.12924 202.6
[M+CH3COO]- 412.14489 222.3
[M+Na-2H]- 374.10571 183.6
[M]+ 353.13049 182.5
[M]- 353.13159 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.