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]+ 481.13288 217.5
[M+Na]+ 503.11482 230.6
[M-H]- 479.11832 229.7
[M+NH4]+ 498.15942 230.6
[M+K]+ 519.08876 223.1
[M+H-H2O]+ 463.12286 210.8
[M+HCOO]- 525.12380 234.3
[M+CH3COO]- 539.13945 227.7
[M+Na-2H]- 501.10027 213.8
[M]+ 480.12505 226.5
[M]- 480.12615 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.