CID 135512882

1,3-dihydro-3-(((2-(diethylamino)ethyl)amino)methylene)-5-nitro-2h-indol-2-one

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CCN(CC)CCN=CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H20N4O3/c1-3-18(4-2)8-7-16-10-13-12-9-11(19(21)22)5-6-14(12)17-15(13)20/h5-6,9-10,17,20H,3-4,7-8H2,1-2H3
InChIKey
QBMVUTTXNPMFGI-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyliminomethyl]-5-nitro-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15353 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 168.9
[M+Na]+ 327.14275 179.4
[M+NH4]+ 322.18735 175.0
[M+K]+ 343.11669 177.9
[M-H]- 303.14625 171.7
[M+Na-2H]- 325.12820 172.7
[M]+ 304.15298 170.7
[M]- 304.15408 170.7
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.