CID 154880930

2418731-60-7

Structural Information

Molecular Formula
C22H20N4O3
SMILES
C=CC(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N
InChI
InChI=1S/C22H20N4O3/c1-2-20(27)26-9-3-4-13-10-14(5-8-19(13)26)22(29)24-16-6-7-17-15(11-16)12-18(25-17)21(23)28/h2,5-8,10-12,25H,1,3-4,9H2,(H2,23,28)(H,24,29)
InChIKey
YRVCZWIQHZKCCN-UHFFFAOYSA-N
Compound name
N-(2-carbamoyl-1H-indol-5-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15353 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16081 190.9
[M+Na]+ 411.14275 196.6
[M-H]- 387.14625 195.1
[M+NH4]+ 406.18735 201.4
[M+K]+ 427.11669 190.2
[M+H-H2O]+ 371.15079 181.8
[M+HCOO]- 433.15173 206.8
[M+CH3COO]- 447.16738 198.8
[M+Na-2H]- 409.12820 191.2
[M]+ 388.15298 187.7
[M]- 388.15408 187.7
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.