CID 87596645

2044770-20-7

Structural Information

Molecular Formula
C19H44N4O2
SMILES
CC(CN(CCCN(CCCN(C)C)CCCN(C)C)CC(C)O)O
InChI
InChI=1S/C19H44N4O2/c1-18(24)16-23(17-19(2)25)15-9-14-22(12-7-10-20(3)4)13-8-11-21(5)6/h18-19,24-25H,7-17H2,1-6H3
InChIKey
XOUUBIIWXXBSJN-UHFFFAOYSA-N
Compound name
1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

360.34644 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.35372 202.6
[M+Na]+ 383.33566 200.4
[M-H]- 359.33916 203.4
[M+NH4]+ 378.38026 233.6
[M+K]+ 399.30960 203.0
[M+H-H2O]+ 343.34370 193.4
[M+HCOO]- 405.34464 223.6
[M+CH3COO]- 419.36029 240.1
[M+Na-2H]- 381.32111 197.2
[M]+ 360.34589 208.2
[M]- 360.34699 208.2
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