CID 86573598

N-(dimethyl-methylene-vinyl-[?]yl)methanimine

Structural Information

Molecular Formula
C21H24N2
SMILES
CC1([C@@H]2C[C@@H](C(=C)[C@@H]([C@H]2C3=CNC4=CC=CC1=C43)N=C)C=C)C
InChI
InChI=1S/C21H24N2/c1-6-13-10-16-19(20(22-5)12(13)2)14-11-23-17-9-7-8-15(18(14)17)21(16,3)4/h6-9,11,13,16,19-20,23H,1-2,5,10H2,3-4H3/t13-,16+,19-,20-/m0/s1
InChIKey
BNMOIGPCCXYQAH-MVHCQYFOSA-N
Compound name
N-[(2R,3R,5R,7R)-5-ethenyl-8,8-dimethyl-4-methylidene-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraen-3-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 174.0
[M+Na]+ 327.18316 183.7
[M-H]- 303.18666 178.2
[M+NH4]+ 322.22776 195.3
[M+K]+ 343.15710 175.3
[M+H-H2O]+ 287.19120 166.6
[M+HCOO]- 349.19214 190.4
[M+CH3COO]- 363.20779 184.9
[M+Na-2H]- 325.16861 176.6
[M]+ 304.19339 172.8
[M]- 304.19449 172.8
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.