CID 3021352

1-(3-diethylaminopropyl)-3-(3-piperidinobutylamino)indazole

Structural Information

Molecular Formula
C23H39N5
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(=N1)NCCC(C)N3CCCCC3
InChI
InChI=1S/C23H39N5/c1-4-26(5-2)16-11-19-28-22-13-8-7-12-21(22)23(25-28)24-15-14-20(3)27-17-9-6-10-18-27/h7-8,12-13,20H,4-6,9-11,14-19H2,1-3H3,(H,24,25)
InChIKey
QYLRPDMRBDMYHV-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

385.32056 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.32784 199.2
[M+Na]+ 408.30978 200.8
[M-H]- 384.31328 202.1
[M+NH4]+ 403.35438 209.2
[M+K]+ 424.28372 195.9
[M+H-H2O]+ 368.31782 187.2
[M+HCOO]- 430.31876 215.7
[M+CH3COO]- 444.33441 231.1
[M+Na-2H]- 406.29523 198.7
[M]+ 385.32001 199.5
[M]- 385.32111 199.5
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