CID 3066788

2-chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2hcl h2o

Structural Information

Molecular Formula
C22H27ClN4O4
SMILES
CC(C)NCC(COC1=CC=CC(=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl)O
InChI
InChI=1S/C22H27ClN4O4/c1-13(2)24-11-15(28)12-31-16-7-5-6-14(8-16)25-21-17-9-19(29-3)20(30-4)10-18(17)26-22(23)27-21/h5-10,13,15,24,28H,11-12H2,1-4H3,(H,25,26,27)
InChIKey
LSFKCGRSQWAPTH-UHFFFAOYSA-N
Compound name
1-[3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1721 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.17938 205.0
[M+Na]+ 469.16132 211.0
[M-H]- 445.16482 208.4
[M+NH4]+ 464.20592 212.0
[M+K]+ 485.13526 206.3
[M+H-H2O]+ 429.16936 194.9
[M+HCOO]- 491.17030 218.3
[M+CH3COO]- 505.18595 236.2
[M+Na-2H]- 467.14677 206.9
[M]+ 446.17155 212.1
[M]- 446.17265 212.1
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.