CID 415927

Nsc74578

Structural Information

Molecular Formula
C21H33N3O
SMILES
CC(C)CN(CCNC1=C2C(=CC(=C1)OC)C=CC=N2)C(C)C(C)C
InChI
InChI=1S/C21H33N3O/c1-15(2)14-24(17(5)16(3)4)11-10-22-20-13-19(25-6)12-18-8-7-9-23-21(18)20/h7-9,12-13,15-17,22H,10-11,14H2,1-6H3
InChIKey
QOFYEMDBVKFVBT-UHFFFAOYSA-N
Compound name
N-(6-methoxyquinolin-8-yl)-N'-(3-methylbutan-2-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.26236 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 189.7
[M+Na]+ 366.25158 192.5
[M-H]- 342.25508 192.9
[M+NH4]+ 361.29618 202.8
[M+K]+ 382.22552 190.4
[M+H-H2O]+ 326.25962 180.4
[M+HCOO]- 388.26056 208.4
[M+CH3COO]- 402.27621 227.5
[M+Na-2H]- 364.23703 189.8
[M]+ 343.26181 193.2
[M]- 343.26291 193.2
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.