CID 13651866

103079-11-4

Structural Information

Molecular Formula
C34H31N3
SMILES
CC1=C(C=CC(=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)/C=N/N(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H31N3/c1-28-24-34(36(26-29-14-6-2-7-15-29)27-30-16-8-3-9-17-30)23-22-31(28)25-35-37(32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25H,26-27H2,1H3/b35-25+
InChIKey
YHSHLDSZGSBCPB-KVQDIILNSA-N
Compound name
N,N-dibenzyl-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

241
Patents

481.2518 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.25908 222.6
[M+Na]+ 504.24102 223.9
[M-H]- 480.24452 239.0
[M+NH4]+ 499.28562 228.4
[M+K]+ 520.21496 217.0
[M+H-H2O]+ 464.24906 207.4
[M+HCOO]- 526.25000 248.1
[M+CH3COO]- 540.26565 229.6
[M+Na-2H]- 502.22647 225.8
[M]+ 481.25125 221.5
[M]- 481.25235 221.5
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