CID 3078770

122518-84-7

Structural Information

Molecular Formula
C21H31ClN2O
SMILES
CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC
InChI
InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)19-11-12-23(14-19)13-18-9-7-8-10-20(18)22/h7-12,14,16-17,21,25H,5-6,13,15H2,1-4H3
InChIKey
DXSAFOUUFFFLGO-UHFFFAOYSA-N
Compound name
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2125 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21978 192.6
[M+Na]+ 385.20172 196.6
[M-H]- 361.20522 197.2
[M+NH4]+ 380.24632 206.1
[M+K]+ 401.17566 191.8
[M+H-H2O]+ 345.20976 184.4
[M+HCOO]- 407.21070 206.8
[M+CH3COO]- 421.22635 221.5
[M+Na-2H]- 383.18717 188.2
[M]+ 362.21195 196.7
[M]- 362.21305 196.7
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

No patent data available for this compound.