CID 5274493

5-but-3-enyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C22H18N4O3
SMILES
C=CCCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C22H18N4O3/c1-2-3-12-24-19-7-5-4-6-18(19)21-20(24)13-15(14-23)22(27)25(21)16-8-10-17(11-9-16)26(28)29/h2,4-11,13,20-21H,1,3,12H2
InChIKey
GVMPOEQJQUHOSH-UHFFFAOYSA-N
Compound name
5-but-3-enyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13788 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14516 199.6
[M+Na]+ 409.12710 208.6
[M-H]- 385.13060 202.9
[M+NH4]+ 404.17170 209.3
[M+K]+ 425.10104 194.8
[M+H-H2O]+ 369.13514 187.1
[M+HCOO]- 431.13608 213.1
[M+CH3COO]- 445.15173 225.7
[M+Na-2H]- 407.11255 200.8
[M]+ 386.13733 192.6
[M]- 386.13843 192.6
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.