CID 132127

138154-39-9

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O
InChI
InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
InChIKey
CUNDRHORZHFPLY-UHFFFAOYSA-N
Compound name
10-[2-(diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

54
References

1355
Patents

350.1743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 183.0
[M+Na]+ 373.16352 197.0
[M+NH4]+ 368.20812 190.7
[M+K]+ 389.13746 190.8
[M-H]- 349.16702 186.1
[M+Na-2H]- 371.14897 187.4
[M]+ 350.17375 185.8
[M]- 350.17485 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe