CID 153374780

Schembl23909293

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)N3CCC4(C3=NC5=C(C4=O)C=C(C(=C5)C)C)O
InChI
InChI=1S/C23H21N3O2/c1-13-10-18-20(11-14(13)2)25-22-23(28,21(18)27)8-9-26(22)17-6-7-19-16(12-17)5-4-15(3)24-19/h4-7,10-12,28H,8-9H2,1-3H3
InChIKey
IBCJNSKHRZXPHX-UHFFFAOYSA-N
Compound name
3a-hydroxy-6,7-dimethyl-1-(2-methylquinolin-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

371.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.170676 193.8
[M+Na]+ 394.152618 205.1
[M-H]- 370.156124 198.8
[M+NH4]+ 389.197223 208.4
[M+K]+ 410.126558 197.1
[M+H-H2O]+ 354.160660 183.0
[M+HCOO]- 416.161601 206.7
[M+CH3COO]- 430.177251 203.2
[M+Na-2H]- 392.138066 195.8
[M]+ 371.16285142 194.7
[M]- 371.16394858 194.7
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

patents stripe