CID 135705557

Brn 1506818

Structural Information

Molecular Formula
C23H20N4S
SMILES
CC1=CC(=CC=C1)C2=C3C(=CC=C2)NC(=C3/C=N/NC(=S)N)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4S/c1-15-7-5-10-17(13-15)18-11-6-12-20-21(18)19(14-25-27-23(24)28)22(26-20)16-8-3-2-4-9-16/h2-14,26H,1H3,(H3,24,27,28)/b25-14+
InChIKey
XTKXVWWUKCNJEE-AFUMVMLFSA-N
Compound name
[(E)-[4-(3-methylphenyl)-2-phenyl-1H-indol-3-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.14087 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14815 190.5
[M+Na]+ 407.13009 199.0
[M-H]- 383.13359 200.1
[M+NH4]+ 402.17469 203.2
[M+K]+ 423.10403 189.9
[M+H-H2O]+ 367.13813 181.5
[M+HCOO]- 429.13907 210.7
[M+CH3COO]- 443.15472 200.4
[M+Na-2H]- 405.11554 192.6
[M]+ 384.14032 190.8
[M]- 384.14142 190.8
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.