CID 5288016

6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine

Structural Information

Molecular Formula
C19H19F3N4
SMILES
CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C3=CC(=CC=C3)N)C(F)(F)F
InChI
InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26)
InChIKey
XQKJVNGGVLHNLA-UHFFFAOYSA-N
Compound name
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

360.1562 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16348 187.9
[M+Na]+ 383.14542 196.9
[M-H]- 359.14892 189.0
[M+NH4]+ 378.19002 198.5
[M+K]+ 399.11936 189.9
[M+H-H2O]+ 343.15346 176.0
[M+HCOO]- 405.15440 202.4
[M+CH3COO]- 419.17005 221.6
[M+Na-2H]- 381.13087 193.2
[M]+ 360.15565 183.2
[M]- 360.15675 183.2
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