CID 378419

Nsc-660838

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=CC=C4OC
InChI
InChI=1S/C21H24N4O2/c1-4-24(5-2)12-11-22-15-9-10-16-20-18(15)21(26)14-7-6-8-17(27-3)19(14)25(20)13-23-16/h6-10,13,22H,4-5,11-12H2,1-3H3
InChIKey
UOASRCCYMFZXGC-UHFFFAOYSA-N
Compound name
10-[2-(diethylamino)ethylamino]-3-methoxy-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
1
Annotation Hits

2
References

0
Patents

364.1899 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 188.1
[M+Na]+ 387.17912 197.6
[M-H]- 363.18262 193.1
[M+NH4]+ 382.22372 203.6
[M+K]+ 403.15306 192.6
[M+H-H2O]+ 347.18716 178.4
[M+HCOO]- 409.18810 210.3
[M+CH3COO]- 423.20375 198.9
[M+Na-2H]- 385.16457 194.4
[M]+ 364.18935 197.2
[M]- 364.19045 197.2
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

No patent data available for this compound.