CID 135537759

Brn 6028657

Structural Information

Molecular Formula
C30H29N7OS
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=S)N2C(=NC(=C2O)/C=C/3\C=NC4=CC=CC=C43)CCNC5=CC=CC=C5
InChI
InChI=1S/C30H29N7OS/c1-36(2)24-14-12-21(13-15-24)19-33-35-30(39)37-28(16-17-31-23-8-4-3-5-9-23)34-27(29(37)38)18-22-20-32-26-11-7-6-10-25(22)26/h3-15,18-20,31,38H,16-17H2,1-2H3,(H,35,39)/b22-18+,33-19+
InChIKey
FSZKSCVWEWPPQA-CDHHAXSJSA-N
Compound name
2-(2-anilinoethyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]imidazole-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.21545 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.22273 226.8
[M+Na]+ 558.20467 232.0
[M-H]- 534.20817 238.7
[M+NH4]+ 553.24927 232.6
[M+K]+ 574.17861 224.0
[M+H-H2O]+ 518.21271 215.7
[M+HCOO]- 580.21365 245.3
[M+CH3COO]- 594.22930 233.5
[M+Na-2H]- 556.19012 226.0
[M]+ 535.21490 230.0
[M]- 535.21600 230.0
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.