CID 6514383

N-(2,5-dimethylphenyl)-2-[(3e)-2-oxo-3-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3h)-ylidene)-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C27H20N4O3S
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C\4/C(=O)N5C6=CC=CC=C6N=C5S4)/C2=O
InChI
InChI=1S/C27H20N4O3S/c1-15-11-12-16(2)19(13-15)28-22(32)14-30-20-9-5-3-7-17(20)23(25(30)33)24-26(34)31-21-10-6-4-8-18(21)29-27(31)35-24/h3-13H,14H2,1-2H3,(H,28,32)/b24-23+
InChIKey
QIKYTNOVXMQVAR-WCWDXBQESA-N
Compound name
N-(2,5-dimethylphenyl)-2-[(3E)-2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1256 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.132876 217.5
[M+Na]+ 503.114818 230.6
[M-H]- 479.118324 229.7
[M+NH4]+ 498.159423 230.6
[M+K]+ 519.088758 223.1
[M+H-H2O]+ 463.122860 210.8
[M+HCOO]- 525.123801 234.3
[M+CH3COO]- 539.139451 227.7
[M+Na-2H]- 501.100266 213.8
[M]+ 480.12505142 226.5
[M]- 480.12614858 226.5
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.