CID 82307

N-isopropylmethylenedianiline

Structural Information

Molecular Formula
C16H20N2
SMILES
CC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C16H20N2/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h3-10,12,18H,11,17H2,1-2H3
InChIKey
OYZBHMQKSAYWAI-UHFFFAOYSA-N
Compound name
4-[[4-(propan-2-ylamino)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

240.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 157.4
[M+Na]+ 263.15186 163.1
[M-H]- 239.15536 163.5
[M+NH4]+ 258.19646 174.2
[M+K]+ 279.12580 158.8
[M+H-H2O]+ 223.15990 149.6
[M+HCOO]- 285.16084 181.5
[M+CH3COO]- 299.17649 200.4
[M+Na-2H]- 261.13731 161.4
[M]+ 240.16209 155.0
[M]- 240.16319 155.0
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

patents stripe