CID 386387

Nsc678358

Structural Information

Molecular Formula
C21H29N5O2
SMILES
CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=NC(=O)NC(=C13)C)OCC
InChI
InChI=1S/C21H29N5O2/c1-5-26(6-2)12-8-11-22-19-16-13-15(28-7-3)9-10-17(16)24-20-18(19)14(4)23-21(27)25-20/h9-10,13H,5-8,11-12H2,1-4H3,(H2,22,23,24,25,27)
InChIKey
UTHOHPWSHLQSLE-UHFFFAOYSA-N
Compound name
5-[3-(diethylamino)propylamino]-7-ethoxy-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.23212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23940 196.4
[M+Na]+ 406.22134 204.6
[M-H]- 382.22484 197.9
[M+NH4]+ 401.26594 206.1
[M+K]+ 422.19528 198.7
[M+H-H2O]+ 366.22938 185.5
[M+HCOO]- 428.23032 215.1
[M+CH3COO]- 442.24597 230.4
[M+Na-2H]- 404.20679 201.9
[M]+ 383.23157 202.7
[M]- 383.23267 202.7
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.