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]+ 384.239396 196.4
[M+Na]+ 406.221338 204.6
[M-H]- 382.224844 197.9
[M+NH4]+ 401.265943 206.1
[M+K]+ 422.195278 198.7
[M+H-H2O]+ 366.229380 185.5
[M+HCOO]- 428.230321 215.1
[M+CH3COO]- 442.245971 230.4
[M+Na-2H]- 404.206786 201.9
[M]+ 383.23157142 202.7
[M]- 383.23266858 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.