CID 3898255

311334-40-4

Structural Information

Molecular Formula
C23H21N5O3
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CN=CC=C4)C(=O)C1)C
InChI
InChI=1S/C23H21N5O3/c1-23(2)10-18-21(19(29)11-23)20(14-5-4-8-26-13-14)17(12-24)22(25)27(18)15-6-3-7-16(9-15)28(30)31/h3-9,13,20H,10-11,25H2,1-2H3
InChIKey
YXEANZIQDKPPPO-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.16443 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17171 200.5
[M+Na]+ 438.15365 214.6
[M+NH4]+ 433.19825 204.7
[M+K]+ 454.12759 204.3
[M-H]- 414.15715 199.8
[M+Na-2H]- 436.13910 205.3
[M]+ 415.16388 201.5
[M]- 415.16498 201.5
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.