CID 292905

N-(3-chloro-p-tolyl)-4-methylbenzylamine

Structural Information

Molecular Formula
C15H16ClN
SMILES
CC1=CC=C(C=C1)CNC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C15H16ClN/c1-11-3-6-13(7-4-11)10-17-14-8-5-12(2)15(16)9-14/h3-9,17H,10H2,1-2H3
InChIKey
ODZRBTUVRQUISV-UHFFFAOYSA-N
Compound name
3-chloro-4-methyl-N-[(4-methylphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

245.09712 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10440 155.0
[M+Na]+ 268.08634 164.1
[M-H]- 244.08984 161.9
[M+NH4]+ 263.13094 173.5
[M+K]+ 284.06028 158.0
[M+H-H2O]+ 228.09438 148.6
[M+HCOO]- 290.09532 175.5
[M+CH3COO]- 304.11097 197.0
[M+Na-2H]- 266.07179 160.2
[M]+ 245.09657 157.1
[M]- 245.09767 157.1
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