CID 24963046

N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide

Structural Information

Molecular Formula
C25H29N5O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=C(N=C4C=C3)NCCN5CCOCC5
InChI
InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)
InChIKey
MNEXDVSJIUQQRH-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

431.23212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.23940 208.6
[M+Na]+ 454.22134 213.7
[M-H]- 430.22484 217.2
[M+NH4]+ 449.26594 208.0
[M+K]+ 470.19528 207.3
[M+H-H2O]+ 414.22938 195.9
[M+HCOO]- 476.23032 223.2
[M+CH3COO]- 490.24597 214.4
[M+Na-2H]- 452.20679 211.0
[M]+ 431.23157 207.7
[M]- 431.23267 207.7
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