CID 135417396

62205-86-1

Structural Information

Molecular Formula
C21H21N3
SMILES
CC(CC1=CC=CC=C1)N=C2NC3=CC=CC4=C3C(=CC=C4)N2C
InChI
InChI=1S/C21H21N3/c1-15(14-16-8-4-3-5-9-16)22-21-23-18-12-6-10-17-11-7-13-19(20(17)18)24(21)2/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKey
YATFKBAMYGFNCV-UHFFFAOYSA-N
Compound name
3-methyl-N-(1-phenylpropan-2-yl)-1H-perimidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.17355 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18083 177.3
[M+Na]+ 338.16277 183.3
[M-H]- 314.16627 181.3
[M+NH4]+ 333.20737 190.5
[M+K]+ 354.13671 176.1
[M+H-H2O]+ 298.17081 166.5
[M+HCOO]- 360.17175 193.2
[M+CH3COO]- 374.18740 186.3
[M+Na-2H]- 336.14822 183.3
[M]+ 315.17300 175.0
[M]- 315.17410 175.0
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

No patent data available for this compound.