CID 200095

Isonipecotamide, 1-(3-(10,11-dihydro-5h-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, dihydrochloride

Structural Information

Molecular Formula
C25H34N4O
SMILES
CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)N
InChI
InChI=1S/C25H34N4O/c1-27(2)25(24(26)30)14-18-28(19-15-25)16-7-17-29-22-10-5-3-8-20(22)12-13-21-9-4-6-11-23(21)29/h3-6,8-11H,7,12-19H2,1-2H3,(H2,26,30)
InChIKey
NAACMXZCINFPAV-UHFFFAOYSA-N
Compound name
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.27325 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.28053 201.8
[M+Na]+ 429.26247 204.0
[M-H]- 405.26597 207.5
[M+NH4]+ 424.30707 212.3
[M+K]+ 445.23641 202.8
[M+H-H2O]+ 389.27051 190.7
[M+HCOO]- 451.27145 214.5
[M+CH3COO]- 465.28710 208.0
[M+Na-2H]- 427.24792 203.0
[M]+ 406.27270 195.0
[M]- 406.27380 195.0
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.