CID 3021351

1,3-propanediamine, n,n-dibutyl-n'-(1-(3-(diethylamino)propyl)-1h-indazol-3-yl)-

Structural Information

Molecular Formula
C25H45N5
SMILES
CCCCN(CCCC)CCCNC1=NN(C2=CC=CC=C21)CCCN(CC)CC
InChI
InChI=1S/C25H45N5/c1-5-9-18-29(19-10-6-2)20-13-17-26-25-23-15-11-12-16-24(23)30(27-25)22-14-21-28(7-3)8-4/h11-12,15-16H,5-10,13-14,17-22H2,1-4H3,(H,26,27)
InChIKey
OEXSXYMXUIGKDE-UHFFFAOYSA-N
Compound name
N',N'-dibutyl-N-[1-[3-(diethylamino)propyl]indazol-3-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

415.3675 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.37478 211.8
[M+Na]+ 438.35672 213.7
[M-H]- 414.36022 214.5
[M+NH4]+ 433.40132 223.0
[M+K]+ 454.33066 209.7
[M+H-H2O]+ 398.36476 200.2
[M+HCOO]- 460.36570 234.3
[M+CH3COO]- 474.38135 245.1
[M+Na-2H]- 436.34217 211.7
[M]+ 415.36695 220.3
[M]- 415.36805 220.3
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