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]+ 402.35912 209.7
[M+Na]+ 424.34106 211.4
[M-H]- 400.34456 213.1
[M+NH4]+ 419.38566 221.4
[M+K]+ 440.31500 209.3
[M+H-H2O]+ 384.34910 199.1
[M+HCOO]- 446.35004 229.6
[M+CH3COO]- 460.36569 244.7
[M+Na-2H]- 422.32651 206.7
[M]+ 401.35129 216.2
[M]- 401.35239 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