CID 9568666

Ropizine

Structural Information

Molecular Formula
C24H26N4
SMILES
CC1=NC(=CC=C1)/C=N/N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N4/c1-20-9-8-14-23(26-20)19-25-28-17-15-27(16-18-28)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24H,15-18H2,1H3/b25-19+
InChIKey
UZDGLRYWBSKLQY-NCELDCMTSA-N
Compound name
(E)-N-(4-benzhydrylpiperazin-1-yl)-1-(6-methyl-2-pyridinyl)methanimine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

292
Patents

370.21576 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.223036 192.9
[M+Na]+ 393.204978 195.8
[M-H]- 369.208484 200.6
[M+NH4]+ 388.249583 199.4
[M+K]+ 409.178918 188.4
[M+H-H2O]+ 353.213020 178.5
[M+HCOO]- 415.213961 209.2
[M+CH3COO]- 429.229611 200.0
[M+Na-2H]- 391.190426 195.8
[M]+ 370.21521142 187.2
[M]- 370.21630858 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe