CID 494252

Nsc340844

Structural Information

Molecular Formula
C28H38N6O2
SMILES
CC1=CC(=NCCCN(C)C)C2=C(N1O)C3=C(C=C2)C4=C(C=C3)C(=NCCCN(C)C)C=C(N4O)C
InChI
InChI=1S/C28H38N6O2/c1-19-17-25(29-13-7-15-31(3)4)23-11-10-22-21(27(23)33(19)35)9-12-24-26(30-14-8-16-32(5)6)18-20(2)34(36)28(22)24/h9-12,17-18,35-36H,7-8,13-16H2,1-6H3
InChIKey
CDWAPXPDCDTCMF-UHFFFAOYSA-N
Compound name
3-[[1-[3-(dimethylamino)propylimino]-4,10-dihydroxy-3,9-dimethylquinolino[8,7-h]quinolin-7-ylidene]amino]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.30563 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.31291 227.3
[M+Na]+ 513.29485 234.8
[M-H]- 489.29835 233.5
[M+NH4]+ 508.33945 235.8
[M+K]+ 529.26879 230.0
[M+H-H2O]+ 473.30289 215.1
[M+HCOO]- 535.30383 248.1
[M+CH3COO]- 549.31948 263.6
[M+Na-2H]- 511.28030 230.8
[M]+ 490.30508 235.8
[M]- 490.30618 235.8
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.