CID 15956195

Schembl4881648

Structural Information

Molecular Formula
C23H27IN4O
SMILES
CC(C)CCN(C1=CC=C(C=C1)N2CCOCC2)C3=NC=NC4=C3C=C(C=C4)I
InChI
InChI=1S/C23H27IN4O/c1-17(2)9-10-28(23-21-15-18(24)3-8-22(21)25-16-26-23)20-6-4-19(5-7-20)27-11-13-29-14-12-27/h3-8,15-17H,9-14H2,1-2H3
InChIKey
NBORKTMIYPMTMF-UHFFFAOYSA-N
Compound name
6-iodo-N-(3-methylbutyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

502.12296 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.13024 200.7
[M+Na]+ 525.11218 197.3
[M-H]- 501.11568 199.5
[M+NH4]+ 520.15678 202.2
[M+K]+ 541.08612 198.7
[M+H-H2O]+ 485.12022 183.8
[M+HCOO]- 547.12116 209.1
[M+CH3COO]- 561.13681 203.5
[M+Na-2H]- 523.09763 192.1
[M]+ 502.12241 196.1
[M]- 502.12351 196.1
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

patents stripe