CID 3021361

1-(3-dimethylaminobutyl)-3-(3-diethylamino-5-methylhexylamino)indazole

Structural Information

Molecular Formula
C24H43N5
SMILES
CCN(CC)C(CCNC1=NN(C2=CC=CC=C21)CCC(C)N(C)C)CC(C)C
InChI
InChI=1S/C24H43N5/c1-8-28(9-2)21(18-19(3)4)14-16-25-24-22-12-10-11-13-23(22)29(26-24)17-15-20(5)27(6)7/h10-13,19-21H,8-9,14-18H2,1-7H3,(H,25,26)
InChIKey
ZNVWPPLLVUOEBE-UHFFFAOYSA-N
Compound name
1-N-[1-[3-(dimethylamino)butyl]indazol-3-yl]-3-N,3-N-diethyl-5-methylhexane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

401.35184 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.359116 209.7
[M+Na]+ 424.341058 211.4
[M-H]- 400.344564 213.1
[M+NH4]+ 419.385663 221.4
[M+K]+ 440.314998 209.3
[M+H-H2O]+ 384.349100 199.1
[M+HCOO]- 446.350041 229.6
[M+CH3COO]- 460.365691 244.7
[M+Na-2H]- 422.326506 206.7
[M]+ 401.35129142 216.2
[M]- 401.35238858 216.2
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

patents stripe