CID 3080403

1-piperazinecarboximidamide, n-(3-hydroxypropyl)-4-(2-methoxyphenyl)-n'-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C21H28N4O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=NCCCO)NC3=CC=CC=C3
InChI
InChI=1S/C21H28N4O2/c1-27-20-11-6-5-10-19(20)24-13-15-25(16-14-24)21(22-12-7-17-26)23-18-8-3-2-4-9-18/h2-6,8-11,26H,7,12-17H2,1H3,(H,22,23)
InChIKey
GHNNEAAMIODVAI-UHFFFAOYSA-N
Compound name
N'-(3-hydroxypropyl)-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

368.22122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 189.8
[M+Na]+ 391.21044 191.5
[M-H]- 367.21394 195.1
[M+NH4]+ 386.25504 197.8
[M+K]+ 407.18438 186.6
[M+H-H2O]+ 351.21848 177.8
[M+HCOO]- 413.21942 207.7
[M+CH3COO]- 427.23507 219.8
[M+Na-2H]- 389.19589 192.4
[M]+ 368.22067 185.9
[M]- 368.22177 185.9
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