CID 16760588

4-methyl-n1-(3-phenylpropyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N
InChI
InChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKey
YMFNPBSZFWXMAD-UHFFFAOYSA-N
Compound name
4-methyl-1-N-(3-phenylpropyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

59
References

466
Patents

240.16264 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.6
[M+Na]+ 263.151858 162.6
[M-H]- 239.155364 162.6
[M+NH4]+ 258.196463 173.4
[M+K]+ 279.125798 157.7
[M+H-H2O]+ 223.159900 148.7
[M+HCOO]- 285.160841 181.8
[M+CH3COO]- 299.176491 199.5
[M+Na-2H]- 261.137306 161.9
[M]+ 240.16209142 154.8
[M]- 240.16318858 154.8
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