CID 86576620

1-amino-3-[(e)-[1-(p-tolylmethyl)indol-3-yl]methyleneamino]thiourea

Structural Information

Molecular Formula
C18H19N5S
SMILES
CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N/NC(=S)NN
InChI
InChI=1S/C18H19N5S/c1-13-6-8-14(9-7-13)11-23-12-15(10-20-22-18(24)21-19)16-4-2-3-5-17(16)23/h2-10,12H,11,19H2,1H3,(H2,21,22,24)/b20-10+
InChIKey
WSPOGIVZXKPLBF-KEBDBYFISA-N
Compound name
1-amino-3-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.1361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14338 176.6
[M+Na]+ 360.12532 184.6
[M-H]- 336.12882 184.4
[M+NH4]+ 355.16992 192.0
[M+K]+ 376.09926 177.8
[M+H-H2O]+ 320.13336 167.8
[M+HCOO]- 382.13430 199.5
[M+CH3COO]- 396.14995 187.6
[M+Na-2H]- 358.11077 180.5
[M]+ 337.13555 178.3
[M]- 337.13665 178.3
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.