CID 366887

Nsc635930

Structural Information

Molecular Formula
C23H27N5O
SMILES
CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C(=O)C4=C(N3)C=CN=C4)C
InChI
InChI=1S/C23H27N5O/c1-4-28(5-2)12-6-9-25-23-17-13-18-21(15(3)16(17)7-11-26-23)27-20-8-10-24-14-19(20)22(18)29/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,25,26)(H,27,29)
InChIKey
URXKRPPJGJDRQW-UHFFFAOYSA-N
Compound name
10-[3-(diethylamino)propylamino]-6-methyl-5H-isoquinolino[6,7-b][1,6]naphthyridin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

389.22156 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 197.2
[M+Na]+ 412.21078 205.8
[M-H]- 388.21428 199.4
[M+NH4]+ 407.25538 207.3
[M+K]+ 428.18472 198.2
[M+H-H2O]+ 372.21882 185.7
[M+HCOO]- 434.21976 214.5
[M+CH3COO]- 448.23541 205.5
[M+Na-2H]- 410.19623 204.7
[M]+ 389.22101 201.4
[M]- 389.22211 201.4
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

patents stripe